5-Benzoxazoleacetic acid, 2-phenyl-

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Basic information

CAS: 38196-02-0
Standard SMILES: O=C(O)Cc1ccc2oc(-c3ccccc3)nc2c1
InChIKey: QFHJRGYAPLZITA-UHFFFAOYSA-N
Molecular formula: C15H11NO3
Average molar mass: 253.25 g/mol
Monoisotopic mass: 253.07389321

Names & identifiers

Preferred name: 5-Benzoxazoleacetic acid, 2-phenyl-
IUPAC: 2-(2-phenyl-1,3-benzoxazol-5-yl)acetic acid
English name: 2-(2-phenylbenzooxazol-5-yl)acetic acid
Molecular formula: C15H11NO3
Molecular weight: 0

Names & synonyms

38196-02-05-BENZOXAZOLEACETIC ACID, 2-PHENYL-BRN 10796192-Phenyl-5-benzoxazoleacetic acidDTXSID50191578RefChem:301270DTXCID901140692-(2-phenyl-1,3-benzoxazol-5-yl)acetic acid2-(2-PHENYLBENZO[D]OXAZOL-5-YL)ACETIC ACIDMFCD01664208SCHEMBL507169(2-PHENYL-1,3-BENZOXAZOL-5-YL)ACETIC ACID

Show more names

2-Phenylbenzoxazole-5-acetic acid2-(2-phenylbenzooxazol-5-yl)acetic acid

QFHJRGYAPLZITA-UHFFFAOYSA-N2-phenyl-5-benzoxazolylacetic acid2-phenyl-benzoxazol-5-yl-acetic acidAKOS0050918024X-0842SR-010003092202-(2-PHENYLBENZO[D]OXAZOL-5-YL)ACETICACIDSR-01000309220-1

Database identifiers

CAS: 38196-02-0
PubChem CID: 37928
DTXSID: DTXSID50191578
Nikkaji: J41.897H

Properties

Computed structural properties

XLogP: 2.9
Topological polar surface area: 63.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 3
Heavy atoms: 19
Formal charge: 0
Complexity: 327

Chemistry & industry

Upstream & downstream products

Upstream raw materials

5-Benzoxazoleacetonitrile, 2-phenyl-5-Benzoxazoleacetonitrile, α-hydroxy-2-phenyl-Carbon

Related reactions

2 records

New reaction record

HRID 2153159As productTraining data from https://doi.org/10.1039/C8SC04228D (4/10)

HRID 2398746As productuspto-grants-1977_05

Compound notes

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