Basic information
- CAS
2510-32-9- Standard SMILES
Cc1ncoc1C(=O)O- InChIKey
ZIXUNDOOBLSXPE-UHFFFAOYSA-N- Molecular formula
- C5H5NO3
- Average molar mass
- 127.1 g/mol
- Monoisotopic mass
- 127.02694302
Names & identifiers
- Preferred name
- 4-Methyl-1,3-oxazole-5-carboxylic acid
- IUPAC
- 4-methyl-1,3-oxazole-5-carboxylic acid
- English name
- 4-METHYL-1,3-OXAZOLE-5-CARBOXYLIC ACID
- Molecular formula
- C5H5NO3
- Molecular weight
- 127.1
Names & synonyms
4-methyl-1,3-oxazole-5-carboxylic acidDTXSID00303366RefChem:524889DTXCID30254498800-361-12510-32-94-Methyloxazole-5-carboxylic acid5-oxazolecarboxylic acid, 4-methyl-4-methyl-5-oxazolecarboxylic acidMFCD015710704-methyl-oxazole-5-carboxylic acid4-Methoxyoxazole-5-carboxylicAcid
Show more names
4-Methyl-oxazol-5-carboxylic acid4-Methyloxazole-5-carboxylicAcid>4-Methyloxazole-5-carboxylic acid 97%4-Methyl-1,3-oxazole-5-carboxylic acid 95%4-Methyl-1,3-oxazole-5-carboxylic acid ,97%
4-Methoxyoxazole-5-carboxylic AcidNSC158017SCHEMBL354015oxazole, 5-carboxy-4-methyl-SCHEMBL2440211CHEMBL4447127SCHEMBL122309494-methyloxazole-5-carboxylicacid
Database identifiers
- CAS
2510-32-9- PubChem CID
- 292311
- DTXSID
DTXSID00303366- ChEMBL
CHEMBL4447127- EC Number
- 800-361-1
- Nikkaji
- J2.366.874B
Properties
Computed structural properties
- XLogP
- 0.6
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 9
- Formal charge
- 0
- Complexity
- 125
Physicochemical properties
- Melting point
- 239 °C · 239 °C
- Boiling point
- 267.3 · 267.3±20.0 °C(Predicted)
- Density
- 1.348 · 1.348±0.06 g/cm3(Predicted)
- storage temp.
- -20 °C · Sealed in dry,Store in freezer, under -20°C
- form
- powder to crystal
- pka
- 2.09 · 2.09±0.31(Predicted)
- color
- White to Gray to Brown
- InChI
- 1S/C5H5NO3/c1-3-4(5(7)8)9-2-6-3/h2H,1H3,(H,7,8)
- InChIKey
- ZIXUNDOOBLSXPE-UHFFFAOYSA-N
- SMILES
- Cc1ncoc1C(O)=O
- CAS DataBase Reference
- 2510 · 2510-32-9
- UNSPSC Code
- 12352100 · 12352100
- NACRES
- 22 · NA.22
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319
- Precautionary statements
- 264 · P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
- PPE
- 95 · Eyeshields, Gloves, type N95 (US)
- Hazard Codes
- Xi,Xn
- Risk Statements
- 22 · 22-36/37/38
- Safety Statements
- 22 · 22-26-36/37/39
- WGK Germany
- 3 · 3
- Hazard Note
- Irritant
- HS Code
- 29349990 · 29349990
- Storage Class
- 11 · 11 - Combustible Solids
Safety & regulation
Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.
GHS classification
GHS Classification
This chemical does not meet GHS hazard criteria for 20% (1 of 5) of reports.
Warning
H302 (20%): Harmful if swallowed [Warning Acute toxicity, oral]
P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
Aggregated GHS information provided per 5 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.
Hazard information
Hazard Classes and CategoriesAcute Tox. 4 (20%)
Safety data
- PPE
- Eyeshields, Gloves, type N95 (US)
- wgk
- 3
- hs_code
- 29349990
- risk_code
- 22-36/37/38
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- hazard_code
- Xi,Xn
- hazard_note
- Irritant
- safety_code
- 22-26-36/37/39
- Storage Class
- 11 - Combustible Solids
- Hazard statements
- H315-H319
- Precautionary statements
- P264-P280-P302+P352+P332+P313+P362+P364-P305+P351+P338+P337+P313
Chemistry & industry
Applications
Uses4-Methoxyoxazole-5-carboxylic Acid is used in the synthesis of highly selective α4β2-Nicotinic acetylcholine receptor agonists used in the treatment of cognitive disorders. It is also used in the synthesis of small molecule human FPR1 receptor antagonists.
UsesUsed in a palladium-catalyzed cross-coupling between heteroaryl carboxylic acids and aryl bromides leading to arylated heterocycles.
Upstream & downstream products
Upstream raw materials
Suppliers100 total
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
宁波振岳医药科技有限公司19817745290 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
南京林叶化学试剂有限公司13376084917 13376082704 · [email protected]
Hunan Jibang Biological Technology Co., LTD13776644403 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
郑州鸿晟医药科技有限公司0371-55695890 15637198702 · [email protected]
韶远科技（上海）有限公司021-50795510 4000665055 · [email protected]
上海钰源生物化学有限公司021-13814116 13814116708 · [email protected]
Syntechem Co.,Ltd[email protected]
北京华威锐科化工有限公司0757-86329057 18934348241 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
常州科化生物科技有限公司0519-68985668 13685222090 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
上海景颜化工科技有限公司13817811078 · [email protected]
Pure Chemistry Scientific Inc.001-857-928-2050 or 1-888-588-9418 · [email protected]
上海攀鸿化工科技有限公司021-56491756 13512199871 · [email protected]
上海常丰生物医药科技有限公司+86-021-61727342 13611721451 · [email protected]
杰达维（上海）医药科技发展有限公司/J & W PharmLab021-64340559 · [email protected]
南京唯博特医药科技有限公司18066048793; 18014498793 · [email protected]
南京库维诺思医药科技有限公司17853099917 · [email protected]
武汉杂环科技有限公司027-88041443 13072715837 · [email protected]
南通裕健医药科技有限公司13962794339
上海凯谱林医药开发有限公司（原兰州联云志）021-50106671
赛默飞世尔科技（中国）有限公司800-810-5118 · [email protected]
南京精瑞久安生物技术有限公司025-58196018 800028039 · [email protected]
上海特伯化学科技有限公司+86-21-60341587 · [email protected]
TCI AMERICA800-4238616 · [email protected]
TOKYO CHEMICAL INDUSTRY CO., LTD.03-36680489 · [email protected]
TCI Europe320-37350700 · [email protected]
成都麦卡希化工有限公司028-85632863 18108198598 · [email protected]
Shanghai Witofly Chemical Co.,Ltd[email protected]
上海彰锐化工科技有限公司021-54880687
上海毕得医药科技股份有限公司400-164-7117 18317119277 · [email protected]
四川悦合生物医药股份有限公司028-82729560 17365561851 · [email protected]
湖南华腾制药有限公司400-8592883 · [email protected]
上海寰川实业有限公司021-61478794 · [email protected]
江苏艾康生物医药研发有限公司025-66028182 17714375163 · [email protected]
上海拓目化工有限公司13391076197 · [email protected]
Sigma-Aldrich西格玛奥德里奇(上海)贸易有限公司021-61415566 800-8193336 · [email protected]
Accela ChemBio Inc.+1(858) 699-3322 · [email protected]
南京深界智连科技有限公司15026684954 · [email protected]
重庆奥舍生物化工有限公司023-63225655 13320248848 · [email protected]
诺尔凯立科技有限公司86-(0)21-31261262 373522135 · [email protected]
上海雷鸣医药科技有限公司13761371720 · [email protected]
盐城希曼生物科技有限公司0515-88280676; 18921872653
九鼎化学（上海）科技有限公司4009209199 · [email protected]
安耐吉化学&3A（安徽泽升科技股份有限公司）400-0056266 · [email protected]
陕西缔都医药化工有限公司029-029-81120477 17792793610 · [email protected]
Related reactions
25 records
Compound notes
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