Basic information
- CAS
143659-20-5- Standard SMILES
c1ccc2cc(-c3cnco3)ccc2c1- InChIKey
UQGCSVOKHFBQIP-UHFFFAOYSA-N- Molecular formula
- C13H9NO
- Average molar mass
- 195.22 g/mol
- Monoisotopic mass
- 195.06841391
Names & identifiers
- Preferred name
- 5-(Naphthalen-2-yl)-1,3-oxazole
- IUPAC
- 5-naphthalen-2-yl-1,3-oxazole
- English name
- 5-Naphth-2-yl-1,3-oxazole
- Molecular formula
- C13H9NO
- Molecular weight
- 195.22
Names & synonyms
143659-20-55-(naphthalen-2-yl)-1,3-oxazole5-(Naphthalen-2-yl)oxazole5-Naphth-2-yl-1,3-oxazole5-naphthalen-2-yl-1,3-oxazoleMFCD097496795-(2-naphthyl)-1,3-oxazole5-Naphthalen-2-yl-oxazole5-(2-Naphthyl)oxazole5-(2-naph-thyl-)oxazolBDBM8928CHEMBL193653
Show more names
5-(2-naphthalenyl)OxazoleOxazole, 5-(2-naphthalenyl)-
SCHEMBL4500585SCHEMBL6609931DTXSID10460853UQGCSVOKHFBQIP-UHFFFAOYSA-Noxazole-substituted naphthalene 29AKOS005254941PD182650DB-057999
Database identifiers
- CAS
143659-20-5- PubChem CID
- 11275595
- DTXSID
DTXSID10460853- ChEMBL
CHEMBL193653- Nikkaji
- J1.142.649B
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 26 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 2
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 219
Physicochemical properties
- Melting point
- 121 °C · 121 °C
- Boiling point
- 355.1 · 355.1±11.0 °C(Predicted)
- Density
- 1.184 · 1.184±0.06 g/cm3(Predicted)
- pka
- 0.38 · 0.38±0.25(Predicted)
- Hazard Codes
- Xi
Safety & regulation
Safety data
- hazard_code
- Xi
Chemistry & industry
Suppliers7 total
苏州市森菲达化工有限公司18796480002 18796480002 · [email protected]
安徽合诺生物科技有限公司0555-2761852
山东李比希生物医药科技有限公司15318973357; 15318973357 · [email protected]
珠海奥博凯生物医药技术有限公司400-0628126 · [email protected]
南兴化工（江苏）有限公司0512-66387035 18662433356 · [email protected]
河南利恩化工产品有限公司03716091-9097 13383857418 · [email protected]
北京百灵威科技有限公司18210857532 18210857532 · [email protected]
Related reactions
1 records
Compound notes
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