Basic information
- CAS
52727-44-3- Standard SMILES
O=c1c2ccccc2nc2n1CCO2- InChIKey
QBEBJBXQJGORQQ-UHFFFAOYSA-N- Molecular formula
- C10H8N2O2
- Average molar mass
- 188.18 g/mol
- Monoisotopic mass
- 188.0585775
Names & identifiers
- Preferred name
- 2,3-Dihydro-5H-oxazolo[2,3-b]quinazolin-5-one
- IUPAC
- 2,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one
- English name
- 2,3-DIHYDRO-5H-OXAZOLO[2,3-B]QUINAZOLIN-5-ONE
- Molecular formula
- C10H8N2O2
- Molecular weight
- 188.18
Names & synonyms
52727-44-32,3-Dihydro-5H-oxazolo[2,3-b]quinazolin-5-one2H-oxazolo[2,3-b]quinazolin-5(3H)-one2H,3H,5H-[1,3]oxazolo[2,3-b]quinazolin-5-oneMFCD002095762,3-dihydro-[1,3]oxazolo[2,3-b]quinazolin-5-one2,3-dihydro-5H-[1,3]oxazolo[2,3-b]quinazolin-5-one2,3-Dihydro-oxazolo[2,3-b]quinazolin-5-oneMLS0011815425H-Oxazolo[2,3-b]quinazolin-5-one, 2,3-dihydro-orb3022512CHEMBL1417095
Show more names
SCHEMBL11116011DTXSID00352455TPL0560HMS1661F06HMS2861C17CCG-49852AKOS003188202FD138070
Database identifiers
- CAS
52727-44-3- PubChem CID
- 726944
- DTXSID
DTXSID00352455- ChEMBL
CHEMBL1417095- EC Number
- 172-992-4
- Nikkaji
- J1.592.256G
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 0
- Heavy atoms
- 14
- Formal charge
- 0
- Complexity
- 300
Experimental & physicochemical properties
LogP0.6
Solubility>28.2 [ug/mL] (The mean of the results at pH 7.4)
Physicochemical properties
- Melting point
- 160 · 160-163 °C(lit.)
- Density
- 1.47 · 1.47
- storage temp.
- 2 · 2-8°C
- Appearance
- White to off-white Solid
- Symbol(GHS)
- 7 · GHS07
- Signal word
- Warning
- Hazard statements
- 315 · H315-H319-H335
- Precautionary statements
- 261 · P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
- WGK Germany
- 3 · 3
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
Warning
H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)
The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.
Hazard information
Hazard Classes and CategoriesSkin Irrit. 2 (100%)
Safety data
- wgk
- 3
- Signal word
- Warning
- Symbol(GHS)
- GHS07
- Hazard statements
- H315-H319-H335
- Precautionary statements
- P261-P264-P271-P280-P302+P352-P304+P340-P362+P364-P405-P501
Chemistry & industry
Suppliers22 total
武汉贺景行生物科技有限公司027-13277920701 13277920701 · [email protected]
郑州汇聚化工有限公司0371-53399770 18037166334 · [email protected]
北京索莱宝科技有限公司010-50973130 17801761073 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]
天津狄克特科技有限公司22-58627059 13920586291 · [email protected]
TargetMol 中国（陶术生物）400-821-0310 15002144251 · [email protected]
台州南峰药物研究所[email protected] 13127117265 · [email protected]
泰州同新生物医药科技有限公司0523-86818997 18652728585 · [email protected]
上海御略医药科技有限公司021-60345187 13671753212 · [email protected]
武汉贺景行生物科技有限公司18971200136
career henan chemical co+86-0371-86658258 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 17714375163 · [email protected]
上海皓鸿生物医药科技有限公司400-8210725 4008210725 · [email protected]
上海康恩博医药科技有限公司（科小研试剂）400-1388-521 17510465506 · [email protected]
上海凯为化学科技有限公司021-58461859 15821823057 · [email protected]
上海瀚鸿科技股份有限公司021-54306202 18917919676 · [email protected]
上海相辉医药科技有限公司13611835272 13611835272 · [email protected]
烟台盛凯伦化学科技有限公司开发区第一分公司13356901049 · [email protected]
陕西缔都医药化工有限公司+86-29-87569266 +86-17392581500 · [email protected]
南京世洲生物科技有限公司025-85560043 13675144456 · [email protected]
Hefei TNJ Chemical Industry Co.,Ltd.+86-0551-65418671 +86-189 4982 3763 · [email protected]
宝鸡缔都医药化工有限公司029-029-81148929 17792602132 · [email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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