2-(2-phenyl-1,3-oxazol-4-yl)acetic acid

C11H9NO3 — CID 7131950

IUPAC2-(2-phenyl-1,3-oxazol-4-yl)acetic acid
SMILESO=C(O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C11H9NO3/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
InChIKeyGHGUBEHGXLMGTM-UHFFFAOYSA-N
MW203.20 g/mol
LogP1.97
Rot. Bonds3

About 2-(2-phenyl-1,3-oxazol-4-yl)acetic acid

2-(2-phenyl-1,3-oxazol-4-yl)acetic acid (PubChem CID 7131950) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is 2-(2-phenyl-1,3-oxazol-4-yl)acetic acid.

Molecular Properties

Compound Name2-(2-phenyl-1,3-oxazol-4-yl)acetic acid
PubChem CID7131950
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name2-(2-phenyl-1,3-oxazol-4-yl)acetic acid
SMILESO=C(O)Cc1coc(-c2ccccc2)n1
InChIInChI=1S/C11H9NO3/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14)
InChIKeyGHGUBEHGXLMGTM-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-(2-phenyl-1,3-oxazol-4-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

Frequently Asked Questions

What is the IUPAC name of 2-(2-phenyl-1,3-oxazol-4-yl)acetic acid?
The IUPAC name of 2-(2-phenyl-1,3-oxazol-4-yl)acetic acid (CID 7131950) is 2-(2-phenyl-1,3-oxazol-4-yl)acetic acid.
What is the SMILES notation for 2-(2-phenyl-1,3-oxazol-4-yl)acetic acid?
The canonical SMILES for 2-(2-phenyl-1,3-oxazol-4-yl)acetic acid is O=C(O)Cc1coc(-c2ccccc2)n1.
What is the InChIKey of 2-(2-phenyl-1,3-oxazol-4-yl)acetic acid?
The InChIKey is GHGUBEHGXLMGTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO3/c13-10(14)6-9-7-15-11(12-9)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,13,14).
What are the key properties of 2-(2-phenyl-1,3-oxazol-4-yl)acetic acid?
2-(2-phenyl-1,3-oxazol-4-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-(2-phenyl-1,3-oxazol-4-yl)acetic acid is sourced from PubChem (CID 7131950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).