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

C16H11NO3 — CID 15307665

IUPAC2,5-diphenyl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C16H11NO3/c18-16(19)13-14(11-7-3-1-4-8-11)20-15(17-13)12-9-5-2-6-10-12/h1-10H,(H,18,19)
InChIKeyYKZSHSBBYKLXNM-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.71
Rot. Bonds3

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

2,5-diphenyl-1,3-oxazole-4-carboxylic acid (PubChem CID 15307665) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 2,5-diphenyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2,5-diphenyl-1,3-oxazole-4-carboxylic acid
PubChem CID15307665
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name2,5-diphenyl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)oc1-c1ccccc1
InChIInChI=1S/C16H11NO3/c18-16(19)13-14(11-7-3-1-4-8-11)20-15(17-13)12-9-5-2-6-10-12/h1-10H,(H,18,19)
InChIKeyYKZSHSBBYKLXNM-UHFFFAOYSA-N
XLogP3.71
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.27
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2,5-diphenyl-1,3-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

Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2,5-diphenyl-1,3-oxazole-4-carboxylic acid (CID 15307665) is 2,5-diphenyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2,5-diphenyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2,5-diphenyl-1,3-oxazole-4-carboxylic acid is O=C(O)c1nc(-c2ccccc2)oc1-c1ccccc1.
What is the InChIKey of 2,5-diphenyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is YKZSHSBBYKLXNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-16(19)13-14(11-7-3-1-4-8-11)20-15(17-13)12-9-5-2-6-10-12/h1-10H,(H,18,19).
What are the key properties of 2,5-diphenyl-1,3-oxazole-4-carboxylic acid?
2,5-diphenyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 265.27 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 15307665), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).