2-(2-(O-tolylamino)benzo[d]oxazol-6-yl)acetic acid
Basic information
- CAS
256453-94-8- Standard SMILES
Cc1ccccc1Nc1nc2ccc(CC(=O)O)cc2o1- InChIKey
QLHBVRZVXNLWKP-UHFFFAOYSA-N- Molecular formula
- C16H14N2O3
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.10044231
Names & identifiers
- Preferred name
- 2-(2-(O-tolylamino)benzo[d]oxazol-6-yl)acetic acid
- IUPAC
- 2-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetic acid
Names & synonyms
2-(2-(O-tolylamino)benzo[d]oxazol-6-yl)acetic acid256453-94-82-{2-[(2-methylphenyl)amino]-1,3-benzoxazol-6-yl}acetic acidSCHEMBL24294662-[2-(2-methylanilino)-1,3-benzoxazol-6-yl]acetic acidDTXSID30634610QLHBVRZVXNLWKP-UHFFFAOYSA-N2-o-tolylaminobenzoxazole-6-acetic acid2-o-Tolylamino-benzoxazole-6-acetic acid2-(o-tolylaminobenzoxazol-6-yl)acetic acid(2-o-tolylamino-benzoxazol-6-yl)-acetic acid2-(2-o-tolylamino-benzoxazol-6-yl)acetic acid
Show more names
2-(2-methylphenylamino)-6-benzoxazolylacetic acid2-(2-(o-Toluidino)benzo[d]oxazol-6-yl)acetic acid2-(2-(O-tolylamino)benzo[d]oxazol-6-yl)aceticacid[2-(2-Methylanilino)-1,3-benzoxazol-6-yl]acetic acid{2-[(2-methylphenyl)amino]-1,3-benzoxazol-6-yl}acetic acid
Database identifiers
- CAS
256453-94-8- PubChem CID
- 23508315
- DTXSID
DTXSID30634610
Properties
Computed structural properties
- XLogP
- 3.5
- Topological polar surface area
- 75.4 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 377
Related reactions
24 records
Compound notes
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