5-phenyl-1,3-oxazole-4-carboxylic acid

C10H7NO3 — CID 2776299

IUPAC5-phenyl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1-c1ccccc1
InChIInChI=1S/C10H7NO3/c12-10(13)8-9(14-6-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKeyRUKDIKJSGDVSIF-UHFFFAOYSA-N
MW189.17 g/mol
LogP2.04
Rot. Bonds2

About 5-phenyl-1,3-oxazole-4-carboxylic acid

5-phenyl-1,3-oxazole-4-carboxylic acid (PubChem CID 2776299) has the molecular formula C10H7NO3 and a molecular weight of 189.17 g/mol. Its IUPAC name is 5-phenyl-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-phenyl-1,3-oxazole-4-carboxylic acid
PubChem CID2776299
Molecular FormulaC10H7NO3
Molecular Weight189.17 g/mol
Exact Mass189.04
IUPAC Name5-phenyl-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1ncoc1-c1ccccc1
InChIInChI=1S/C10H7NO3/c12-10(13)8-9(14-6-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13)
InChIKeyRUKDIKJSGDVSIF-UHFFFAOYSA-N
XLogP2.04
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.17
LogP ≤ 52.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-phenyl-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

Related Compounds

5-Methyl-2-phenyl-1,3-oxazole-4-carboxylic acid
CID 318533
5-(3-Chlorophenyl)-1,3-oxazole-4-carboxylic acid
CID 2739757
4-(1,3-Oxazol-5-yl)benzoic Acid
CID 2776414
Diphenyl-1,3-oxazole-4-carboxylic acid
CID 15307665
Ethyl 5-phenyl-1,3-oxazole-4-carboxylate
CID 2796947
5-(2-Fluorophenyl)-1,3-oxazole-4-carboxylic acid
CID 22714196
5-Phenyl-1,3-oxazole-4-carbonitrile
CID 4204481
5-(4-Methylphenyl)-1,3-oxazole-4-carboxylic acid
CID 2739750
5-[3-(Trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid
CID 2739753
5-(2-Chlorophenyl)-1,3-oxazole-4-carboxylic acid
CID 2739756
2-Phenyl-5-(trifluoromethyl)-oxazole-4-carboxylic acid
CID 2776438
5-(4-Methoxyphenyl)-1,3-oxazole-4-carboxylic acid
CID 2779782

Frequently Asked Questions

What is the IUPAC name of 5-phenyl-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-phenyl-1,3-oxazole-4-carboxylic acid (CID 2776299) is 5-phenyl-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-phenyl-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-phenyl-1,3-oxazole-4-carboxylic acid is O=C(O)c1ncoc1-c1ccccc1.
What is the InChIKey of 5-phenyl-1,3-oxazole-4-carboxylic acid?
The InChIKey is RUKDIKJSGDVSIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7NO3/c12-10(13)8-9(14-6-11-8)7-4-2-1-3-5-7/h1-6H,(H,12,13).
What are the key properties of 5-phenyl-1,3-oxazole-4-carboxylic acid?
5-phenyl-1,3-oxazole-4-carboxylic acid has a molecular weight of 189.17 g/mol, XLogP of 2.04, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 2776299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).