6-Benzoxazoleacetic acid, 2-phenyl-, ethyl ester
Basic information
- CAS
51234-52-7- Standard SMILES
CCOC(=O)Cc1ccc2nc(-c3ccccc3)oc2c1- InChIKey
NYRJACZZPCHARO-UHFFFAOYSA-N- Molecular formula
- C17H15NO3
- Average molar mass
- 281.3 g/mol
- Monoisotopic mass
- 281.10519334
Names & identifiers
- Preferred name
- 6-Benzoxazoleacetic acid, 2-phenyl-, ethyl ester
- IUPAC
- ethyl 2-(2-phenyl-1,3-benzoxazol-6-yl)acetate
- English name
- 2-Phenyl-6-benzoxazoleacetic acid ethyl ester
- Molecular formula
- C17H15NO3
- Molecular weight
- 281.31
Names & synonyms
51234-52-7BRN 1082643Ethyl-2-phenyl-6-benzoxazoleacetate6-BENZOXAZOLEACETIC ACID, 2-PHENYL-, ETHYL ESTERDTXSID60199242RefChem:307250DTXCID90121733ethyl (2-phenyl-1,3-benzoxazol-6-yl)acetateSCHEMBL1904985CHEMBL3246578NYRJACZZPCHARO-UHFFFAOYSA-Nethyl-2-phenyl-6-benzoxazolylacetate
Show more names
2-Phenyl-6-benzoxazoleacetic acid ethyl ester
ethyl 2-(2-phenylbenzo[d]oxazol-6-yl)acetate
Database identifiers
- CAS
51234-52-7- PubChem CID
- 39948
- DTXSID
DTXSID60199242- ChEMBL
CHEMBL3246578- Nikkaji
- J67.885F
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 52.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 354
Related reactions
5 records
Compound notes
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