2-(2-(4-Fluorophenyl)-1,3-benzoxazol-5-yl)propanoic acid
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Basic information
- CAS
51234-27-6- Standard SMILES
CC(C(=O)O)c1ccc2oc(-c3ccc(F)cc3)nc2c1- InChIKey
ARPYQKTVRGFPIS-UHFFFAOYSA-N- Molecular formula
- C16H12FNO3
- Average molar mass
- 285.27 g/mol
Names & identifiers
- Preferred name
- 2-(2-(4-Fluorophenyl)-1,3-benzoxazol-5-yl)propanoic acid
- IUPAC
- 2-[2-(4-fluorophenyl)-1,3-benzoxazol-5-yl]propanoic acid
- English name
- 2-(4-Fluorophenyl)-α-methyl-5-benzoxazoleacetic acid
- Molecular formula
- C16H12FNO3
- Molecular weight
- 285.273
Names & synonyms
RefChem:1060809DTXCID20815451DTXSID808672542-(2-(4-Fluorophenyl)-1,3-benzoxazol-5-yl)propanoic acid51234-27-62-(4-Fluorophenyl)-alpha-methyl-5-benzoxazoleacetic acid5-BENZOXAZOLEACETIC ACID, 2-(4-FLUOROPHENYL)-alpha-METHYL-BRN 1085079SCHEMBL2519573952-77-9CHEMBL4763634ARPYQKTVRGFPIS-UHFFFAOYSA-N
Show more names
2-(4-Fluorophenyl)-α-methyl-5-benzoxazoleacetic acid
2(4-fluorophenyl)alpha-methyl-5-benzoxazole acetic acid
Database identifiers
- CAS
51234-27-6、73952-77-9- PubChem CID
- 39940
- ChEMBL
CHEMBL4763634- Nikkaji
- J67.869D
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 63.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 384
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Related reactions
1 records
Compound notes
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