4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid

C17H13NO3 — CID 58833412

IUPAC4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
SMILESCc1onc(-c2ccc(C(=O)O)cc2)c1-c1ccccc1
InChIInChI=1S/C17H13NO3/c1-11-15(12-5-3-2-4-6-12)16(18-21-11)13-7-9-14(10-8-13)17(19)20/h2-10H,1H3,(H,19,20)
InChIKeyMOLQLRLNKJOPJQ-UHFFFAOYSA-N
MW279.30 g/mol
LogP4.02
Rot. Bonds3

About 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid

4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid (PubChem CID 58833412) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid.

Molecular Properties

Compound Name4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
PubChem CID58833412
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
SMILESCc1onc(-c2ccc(C(=O)O)cc2)c1-c1ccccc1
InChIInChI=1S/C17H13NO3/c1-11-15(12-5-3-2-4-6-12)16(18-21-11)13-7-9-14(10-8-13)17(19)20/h2-10H,1H3,(H,19,20)
InChIKeyMOLQLRLNKJOPJQ-UHFFFAOYSA-N
XLogP4.02
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic 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 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid?
The IUPAC name of 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid (CID 58833412) is 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid.
What is the SMILES notation for 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid?
The canonical SMILES for 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid is Cc1onc(-c2ccc(C(=O)O)cc2)c1-c1ccccc1.
What is the InChIKey of 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid?
The InChIKey is MOLQLRLNKJOPJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11-15(12-5-3-2-4-6-12)16(18-21-11)13-7-9-14(10-8-13)17(19)20/h2-10H,1H3,(H,19,20).
What are the key properties of 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid?
4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid has a molecular weight of 279.30 g/mol, XLogP of 4.02, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid is sourced from PubChem (CID 58833412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).