5-(3-chlorophenyl)-3-oxo-1,2-oxazole-4-carboxylic acid

C10H6ClNO4 — CID 82388212

IUPAC5-(3-chlorophenyl)-3-oxo-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2cccc(Cl)c2)o[nH]c1=O
InChIInChI=1S/C10H6ClNO4/c11-6-3-1-2-5(4-6)8-7(10(14)15)9(13)12-16-8/h1-4H,(H,12,13)(H,14,15)
InChIKeyCFQAPBCDNCANHO-UHFFFAOYSA-N
MW239.61 g/mol
LogP1.99
Rot. Bonds2

About 5-(3-chlorophenyl)-3-oxo-1,2-oxazole-4-carboxylic acid

5-(3-chlorophenyl)-3-oxo-1,2-oxazole-4-carboxylic acid (PubChem CID 82388212) has the molecular formula C10H6ClNO4 and a molecular weight of 239.61 g/mol. Its IUPAC name is 5-(3-chlorophenyl)-3-oxo-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(3-chlorophenyl)-3-oxo-1,2-oxazole-4-carboxylic acid
PubChem CID82388212
Molecular FormulaC10H6ClNO4
Molecular Weight239.61 g/mol
Exact Mass239.00
IUPAC Name5-(3-chlorophenyl)-3-oxo-1,2-oxazole-4-carboxylic acid
SMILESO=C(O)c1c(-c2cccc(Cl)c2)o[nH]c1=O
InChIInChI=1S/C10H6ClNO4/c11-6-3-1-2-5(4-6)8-7(10(14)15)9(13)12-16-8/h1-4H,(H,12,13)(H,14,15)
InChIKeyCFQAPBCDNCANHO-UHFFFAOYSA-N
XLogP1.99
TPSA83.30 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.61
LogP ≤ 51.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 5-(3-chlorophenyl)-3-oxo-1,2-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

3,6-bis(3-chlorophenyl)benzene-1,2,4,5-tetracarboxylic acid
CID 139733778
3-(3-chlorophenyl)-5-oxo-1,2-dihydropyrazole-4-carboxylic acid
CID 84700819
2-amino-4-[3-(3-chlorophenyl)phenyl]-6-oxo-1H-pyridine-3,5-dicarboxylic acid
CID 169405860
5-(3-chlorophenyl)-3-ethyl-1,2-oxazole-4-carboxylic acid
CID 20848771
5,6-bis(3-chlorophenyl)-1,4-dihydropyrazine-2,3-dione
CID 132588453
5-(3-chlorophenyl)-6-oxo-1H-pyrazine-2-carboxylic acid
CID 57361876
3-(3-chlorophenyl)-1,5-dimethylpyrazole-4-carboxylic acid
CID 122619967
6-(3-chlorophenyl)-2-oxo-1H-pyridine-3-carboxamide
CID 166272958
4-(3-chlorophenyl)-1H-pyrrole-2-carboxylic acid
CID 83536330
6-(3-chlorophenyl)-1,2-dimethyl-4-oxopyridine-3-carboxylic acid
CID 14075336
5-(3-chlorophenyl)-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
CID 58374126
4-(3-chlorophenyl)-5-(4-fluorophenyl)furan-2-carboxylic acid
CID 58064799

Frequently Asked Questions

What is the IUPAC name of 5-(3-chlorophenyl)-3-oxo-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(3-chlorophenyl)-3-oxo-1,2-oxazole-4-carboxylic acid (CID 82388212) is 5-(3-chlorophenyl)-3-oxo-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(3-chlorophenyl)-3-oxo-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(3-chlorophenyl)-3-oxo-1,2-oxazole-4-carboxylic acid is O=C(O)c1c(-c2cccc(Cl)c2)o[nH]c1=O.
What is the InChIKey of 5-(3-chlorophenyl)-3-oxo-1,2-oxazole-4-carboxylic acid?
The InChIKey is CFQAPBCDNCANHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6ClNO4/c11-6-3-1-2-5(4-6)8-7(10(14)15)9(13)12-16-8/h1-4H,(H,12,13)(H,14,15).
What are the key properties of 5-(3-chlorophenyl)-3-oxo-1,2-oxazole-4-carboxylic acid?
5-(3-chlorophenyl)-3-oxo-1,2-oxazole-4-carboxylic acid has a molecular weight of 239.61 g/mol, XLogP of 1.99, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-chlorophenyl)-3-oxo-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 82388212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).