2-(5-phenyl-1,2-oxazol-3-yl)acetic acid

C11H9NO3 — CID 23423467

IUPAC2-(5-phenyl-1,2-oxazol-3-yl)acetic acid
SMILESO=C(O)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C11H9NO3/c13-11(14)7-9-6-10(15-12-9)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14)
InChIKeyFMDCMDNXXSWGCB-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.97
Rot. Bonds3

About 2-(5-phenyl-1,2-oxazol-3-yl)acetic acid

2-(5-phenyl-1,2-oxazol-3-yl)acetic acid (PubChem CID 23423467) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(5-phenyl-1,2-oxazol-3-yl)acetic acid.

Molecular Properties

Compound Name2-(5-phenyl-1,2-oxazol-3-yl)acetic acid
PubChem CID23423467
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-(5-phenyl-1,2-oxazol-3-yl)acetic acid
SMILESO=C(O)Cc1cc(-c2ccccc2)on1
InChIInChI=1S/C11H9NO3/c13-11(14)7-9-6-10(15-12-9)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14)
InChIKeyFMDCMDNXXSWGCB-UHFFFAOYSA-N
XLogP1.97
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(5-phenyl-1,2-oxazol-3-yl)acetic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3,5-Diphenylisoxazole
CID 137292
3,5-Dimethyl-4-phenylisoxazole
CID 5325760
5-Phenyl-3-isoxazolecarboxylic acid
CID 151916
(5-Phenyl-1,2-oxazol-3-yl)methanol
CID 1481082
3-Methyl-5-phenylisoxazole
CID 136804
3-Phenyl-benzo[c]isoxazole-5-carboxylic acid
CID 644438
3-Phenylisoxazole-5-carboxylic Acid
CID 737474
5-(4-Fluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1096392
5-Methyl-3-phenyl-1,2-oxazole
CID 136803
Isoxazole, 5-(4-methylphenyl)-3-phenyl-
CID 296680
5-(4-Hydroxyphenyl)isoxazole-3-carboxylic acid
CID 1090983
5-Tert-butyl-3-phenyl-1,2-oxazole
CID 2853311

Frequently Asked Questions

What is the IUPAC name of 2-(5-phenyl-1,2-oxazol-3-yl)acetic acid?
The IUPAC name of 2-(5-phenyl-1,2-oxazol-3-yl)acetic acid (CID 23423467) is 2-(5-phenyl-1,2-oxazol-3-yl)acetic acid.
What is the SMILES notation for 2-(5-phenyl-1,2-oxazol-3-yl)acetic acid?
The canonical SMILES for 2-(5-phenyl-1,2-oxazol-3-yl)acetic acid is O=C(O)Cc1cc(-c2ccccc2)on1.
What is the InChIKey of 2-(5-phenyl-1,2-oxazol-3-yl)acetic acid?
The InChIKey is FMDCMDNXXSWGCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-11(14)7-9-6-10(15-12-9)8-4-2-1-3-5-8/h1-6H,7H2,(H,13,14).
What are the key properties of 2-(5-phenyl-1,2-oxazol-3-yl)acetic acid?
2-(5-phenyl-1,2-oxazol-3-yl)acetic acid has a molecular weight of 203.20 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-phenyl-1,2-oxazol-3-yl)acetic acid is sourced from PubChem (CID 23423467), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).