5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid

C16H13NO3 — CID 6451156

IUPAC5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C16H13NO3/c18-15(19)14-11-16(20-17-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)
InChIKeyITGSCCPVERXFGN-UHFFFAOYSA-N
MW267.28 g/mol
LogP2.79
Rot. Bonds3

About 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid

5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid (PubChem CID 6451156) has the molecular formula C16H13NO3 and a molecular weight of 267.28 g/mol. Its IUPAC name is 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid
PubChem CID6451156
Molecular FormulaC16H13NO3
Molecular Weight267.28 g/mol
Exact Mass267.09
IUPAC Name5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)C1=NOC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C16H13NO3/c18-15(19)14-11-16(20-17-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19)
InChIKeyITGSCCPVERXFGN-UHFFFAOYSA-N
XLogP2.79
TPSA58.89 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.28
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5,5-diphenyl-4H-1,2-oxazole-3-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

Isoxadifen-ethyl
CID 6451155
5-Phenyl-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 13081532
(Z)-7-[(1S,2E,5R)-2-benzhydryloxyimino-5-methylcyclopentyl]hept-5-enoic acid
CID 44273309
2-(Benzyloxyimino)-2-phenylacetic acid
CID 6163621
Ethyl 5-(4-phenylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylate
CID 25270952
2-Isoxazoline-3-carboxylic acid, 5-phenyl-, ethyl ester
CID 538822
5-(4-Methylphenyl)-4,5-dihydro-1,2-oxazole-3-carboxylic acid
CID 25248671
Ethyl 5-phenyl-5-(trifluoromethyl)-4,5-dihydroisoxazole-3-carboxylate
CID 137797238
Methyl 4,5-dihydro-5-phenyl-3-isoxazolecarboxylate
CID 13524798
5-Diphenyl-2-oxazolepropionic acid
CID 129734927
ethyl 5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylate
CID 21873015
5-(4-fluorophenyl)-5-phenyl-4H-1,2-oxazole-3-carboxylic acid
CID 54318460

Frequently Asked Questions

What is the IUPAC name of 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid (CID 6451156) is 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid is O=C(O)C1=NOC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid?
The InChIKey is ITGSCCPVERXFGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13NO3/c18-15(19)14-11-16(20-17-14,12-7-3-1-4-8-12)13-9-5-2-6-10-13/h1-10H,11H2,(H,18,19).
What are the key properties of 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid?
5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid has a molecular weight of 267.28 g/mol, XLogP of 2.79, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,5-diphenyl-4H-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 6451156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).