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

C16H11NO3 — CID 129078640

IUPAC3,4-diphenyl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1onc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C16H11NO3/c18-16(19)15-13(11-7-3-1-4-8-11)14(17-20-15)12-9-5-2-6-10-12/h1-10H,(H,18,19)
InChIKeyCXACNCNLVQAADH-UHFFFAOYSA-N
MW265.27 g/mol
LogP3.71
Rot. Bonds3

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

3,4-diphenyl-1,2-oxazole-5-carboxylic acid (PubChem CID 129078640) has the molecular formula C16H11NO3 and a molecular weight of 265.27 g/mol. Its IUPAC name is 3,4-diphenyl-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3,4-diphenyl-1,2-oxazole-5-carboxylic acid
PubChem CID129078640
Molecular FormulaC16H11NO3
Molecular Weight265.27 g/mol
Exact Mass265.07
IUPAC Name3,4-diphenyl-1,2-oxazole-5-carboxylic acid
SMILESO=C(O)c1onc(-c2ccccc2)c1-c1ccccc1
InChIInChI=1S/C16H11NO3/c18-16(19)15-13(11-7-3-1-4-8-11)14(17-20-15)12-9-5-2-6-10-12/h1-10H,(H,18,19)
InChIKeyCXACNCNLVQAADH-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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Related Compounds

4-(5-methyl-4-phenyl-1,2-oxazol-3-yl)benzoic acid
CID 58833412
lithium;hydride;3-phenyl-4-(trifluoromethyl)-1,2-oxazole-5-carboxylic acid
CID 174645713
(3,4-diphenyl-1,2-oxazol-5-yl) acetate
CID 57243538
4-(4-sulfophenyl)-1,2-oxazole-3,5-dicarboxylic acid
CID 121222789
methyl 4-nitroso-3-phenyl-1,2-oxazole-5-carboxylate
CID 89063636
4-methyl-3-naphthalen-2-yl-1,2-oxazole-5-carboxylic acid
CID 82362316
5-(1-hydroxyethyl)-3-phenyl-1,2-oxazole-4-carboxylic acid
CID 162957038
3-phenyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxylic acid
CID 16788564
3-phenylbenzo[f][1,2]benzoxazole-4,9-dione
CID 15185268
4-chloro-3-(2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 84700371
3-(3-methoxyphenyl)-4-methyl-1,2-oxazole-5-carboxylic acid
CID 82362326
acetic acid;ethane;3-phenyl-1,2-benzoxazole
CID 143217944

Frequently Asked Questions

What is the IUPAC name of 3,4-diphenyl-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3,4-diphenyl-1,2-oxazole-5-carboxylic acid (CID 129078640) is 3,4-diphenyl-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3,4-diphenyl-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3,4-diphenyl-1,2-oxazole-5-carboxylic acid is O=C(O)c1onc(-c2ccccc2)c1-c1ccccc1.
What is the InChIKey of 3,4-diphenyl-1,2-oxazole-5-carboxylic acid?
The InChIKey is CXACNCNLVQAADH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11NO3/c18-16(19)15-13(11-7-3-1-4-8-11)14(17-20-15)12-9-5-2-6-10-12/h1-10H,(H,18,19).
What are the key properties of 3,4-diphenyl-1,2-oxazole-5-carboxylic acid?
3,4-diphenyl-1,2-oxazole-5-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 3,4-diphenyl-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 129078640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).