5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid

C17H13NO3 — CID 86037624

IUPAC5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2ccccc2-c2ccccc2)c1C(=O)O
InChIInChI=1S/C17H13NO3/c1-11-15(17(19)20)16(18-21-11)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20)
InChIKeyZAXZVGBPDKLJOV-UHFFFAOYSA-N
MW279.30 g/mol
LogP4.02
Rot. Bonds3

About 5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid

5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 86037624) has the molecular formula C17H13NO3 and a molecular weight of 279.30 g/mol. Its IUPAC name is 5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid
PubChem CID86037624
Molecular FormulaC17H13NO3
Molecular Weight279.30 g/mol
Exact Mass279.09
IUPAC Name5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid
SMILESCc1onc(-c2ccccc2-c2ccccc2)c1C(=O)O
InChIInChI=1S/C17H13NO3/c1-11-15(17(19)20)16(18-21-11)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20)
InChIKeyZAXZVGBPDKLJOV-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 5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic 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-(2-bromo-3-pyridinyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 165454204
3-(5-chloro-2-fluorophenyl)-5-methyl-1,2-oxazole-4-carboxylic acid
CID 114866743
5-methyl-3-(3-phenoxyphenyl)-1,2-oxazole-4-carboxylic acid
CID 100802083
1-[3-(2-fluorophenyl)-5-methyl-1,2-oxazol-4-yl]ethanone
CID 67420541
(5-methyl-3-phenyl-1,2-oxazol-4-yl)-pyrrol-1-ylmethanone
CID 2803917
[3-(2-chlorophenyl)-5-methyl-1,2-oxazol-4-yl]-pyrrolidin-1-ylmethanone
CID 743641
5-methyl-N-(1,2-oxazol-3-yl)-3-phenyl-1,2-oxazole-4-carboxamide
CID 1244977
3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]benzoic acid
CID 1042639
3-(2-chlorophenyl)-N-[3-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]propyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4102292
3-(2-chlorophenyl)-N-[4-[[3-(2-chlorophenyl)-5-methyl-1,2-oxazole-4-carbonyl]amino]butyl]-5-methyl-1,2-oxazole-4-carboxamide
CID 4182103
5-methyl-3-phenyl-N-(propan-2-ylideneamino)-1,2-oxazole-4-carboxamide
CID 165343278
N-(4,5-dimethyl-1,2-oxazol-3-yl)-5-methyl-3-phenyl-1,2-oxazole-4-carboxamide
CID 138046221

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid (CID 86037624) is 5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid is Cc1onc(-c2ccccc2-c2ccccc2)c1C(=O)O.
What is the InChIKey of 5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is ZAXZVGBPDKLJOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13NO3/c1-11-15(17(19)20)16(18-21-11)14-10-6-5-9-13(14)12-7-3-2-4-8-12/h2-10H,1H3,(H,19,20).
What are the key properties of 5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid?
5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic 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 5-methyl-3-(2-phenylphenyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 86037624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).