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

C16H11NO3 — CID 23110241

IUPAC4,5-diphenyl-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C16H11NO3/c18-16(19)15-17-13(11-7-3-1-4-8-11)14(20-15)12-9-5-2-6-10-12/h1-10H,(H,18,19)
InChIKeyMEJOWRJWDWAODC-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.71
Rot. Bonds3

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

4,5-diphenyl-1,3-oxazole-2-carboxylic acid (PubChem CID 23110241) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 4,5-diphenyl-1,3-oxazole-2-carboxylic acid.

Molecular Properties

Compound Name4,5-diphenyl-1,3-oxazole-2-carboxylic acid
PubChem CID23110241
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name4,5-diphenyl-1,3-oxazole-2-carboxylic acid
SMILESO=C(O)c1nc(-c2ccccc2)c(-c2ccccc2)o1
InChIInChI=1S/C16H11NO3/c18-16(19)15-17-13(11-7-3-1-4-8-11)14(20-15)12-9-5-2-6-10-12/h1-10H,(H,18,19)
InChIKeyMEJOWRJWDWAODC-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

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Frequently Asked Questions

What is the IUPAC name of 4,5-diphenyl-1,3-oxazole-2-carboxylic acid?
The IUPAC name of 4,5-diphenyl-1,3-oxazole-2-carboxylic acid (CID 23110241) is 4,5-diphenyl-1,3-oxazole-2-carboxylic acid.
What is the SMILES notation for 4,5-diphenyl-1,3-oxazole-2-carboxylic acid?
The canonical SMILES for 4,5-diphenyl-1,3-oxazole-2-carboxylic acid is O=C(O)c1nc(-c2ccccc2)c(-c2ccccc2)o1.
What is the InChIKey of 4,5-diphenyl-1,3-oxazole-2-carboxylic acid?
The InChIKey is MEJOWRJWDWAODC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-16(19)15-17-13(11-7-3-1-4-8-11)14(20-15)12-9-5-2-6-10-12/h1-10H,(H,18,19).
What are the key properties of 4,5-diphenyl-1,3-oxazole-2-carboxylic acid?
4,5-diphenyl-1,3-oxazole-2-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 4,5-diphenyl-1,3-oxazole-2-carboxylic acid is sourced from PubChem (CID 23110241), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).