3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid

C11H8ClNO4 — CID 117386929

IUPAC3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)on2)c(Cl)c1
InChIInChI=1S/C11H8ClNO4/c1-16-6-2-3-7(8(12)4-6)9-5-10(11(14)15)17-13-9/h2-5H,1H3,(H,14,15)
InChIKeyDPOXIQIXVZBJIR-UHFFFAOYSA-N
MW253.64 g/mol
LogP2.70
Rot. Bonds3

About 3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid

3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117386929) has the molecular formula C11H8ClNO4 and a molecular weight of 253.64 g/mol. Its IUPAC name is 3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117386929
Molecular FormulaC11H8ClNO4
Molecular Weight253.64 g/mol
Exact Mass253.01
IUPAC Name3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCOc1ccc(-c2cc(C(=O)O)on2)c(Cl)c1
InChIInChI=1S/C11H8ClNO4/c1-16-6-2-3-7(8(12)4-6)9-5-10(11(14)15)17-13-9/h2-5H,1H3,(H,14,15)
InChIKeyDPOXIQIXVZBJIR-UHFFFAOYSA-N
XLogP2.70
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.64
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-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-(2-ethoxy-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411954
3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 83810753
3-(4-chloro-2,3-dihydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991054
5-(2-chloro-4-methoxyphenyl)-4-ethyl-1,2-oxazole-3-carboxylic acid
CID 118514715
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117479241
3-(2,4,5-trimethoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 43150115
3-(3-bromo-2-methoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117496611
3-(4-methoxy-2,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82371528
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117391975
3-(4-chloro-2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117452106
3-(2,5-dimethoxyphenyl)-1,2-oxazole-5-carboxamide
CID 776499
3-[3-chloro-4-(methoxymethyl)phenyl]-1,2-oxazole-5-carboxylic acid
CID 117422508

Frequently Asked Questions

What is the IUPAC name of 3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid (CID 117386929) is 3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid is COc1ccc(-c2cc(C(=O)O)on2)c(Cl)c1.
What is the InChIKey of 3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is DPOXIQIXVZBJIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO4/c1-16-6-2-3-7(8(12)4-6)9-5-10(11(14)15)17-13-9/h2-5H,1H3,(H,14,15).
What are the key properties of 3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid?
3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 253.64 g/mol, XLogP of 2.70, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chloro-4-methoxyphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117386929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).