3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid

C12H10FNO5S — CID 117482134

IUPAC3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCc1cc(F)c(-c2cc(C(=O)O)on2)cc1S(C)(=O)=O
InChIInChI=1S/C12H10FNO5S/c1-6-3-8(13)7(4-11(6)20(2,17)18)9-5-10(12(15)16)19-14-9/h3-5H,1-2H3,(H,15,16)
InChIKeyIEFRYCUPNCSMAF-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.89
Rot. Bonds3

About 3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid

3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117482134) has the molecular formula C12H10FNO5S and a molecular weight of 299.28 g/mol. Its IUPAC name is 3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117482134
Molecular FormulaC12H10FNO5S
Molecular Weight299.28 g/mol
Exact Mass299.03
IUPAC Name3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCc1cc(F)c(-c2cc(C(=O)O)on2)cc1S(C)(=O)=O
InChIInChI=1S/C12H10FNO5S/c1-6-3-8(13)7(4-11(6)20(2,17)18)9-5-10(12(15)16)19-14-9/h3-5H,1-2H3,(H,15,16)
InChIKeyIEFRYCUPNCSMAF-UHFFFAOYSA-N
XLogP1.89
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-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-fluoro-4-methyl-5-methylsulfanylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117421259
3-(3,5-difluoro-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117349988
3-(5-chloro-2-fluoro-4-hydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991106
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117391975
3-(2-bromo-3-fluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117482846
3-(3,4-difluoro-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117349979
3-(2-fluoro-5-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 83810753
3-(2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117345979
3-(2-fluoro-5-methoxy-4-propan-2-yloxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117475826
3-(3-bromo-2,5-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117476927
3-(3-methyl-4-pyridinyl)-1,2-oxazole-5-carboxylic acid
CID 127020386
3-(4-methoxy-3-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117478784

Frequently Asked Questions

What is the IUPAC name of 3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid (CID 117482134) is 3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid is Cc1cc(F)c(-c2cc(C(=O)O)on2)cc1S(C)(=O)=O.
What is the InChIKey of 3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is IEFRYCUPNCSMAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO5S/c1-6-3-8(13)7(4-11(6)20(2,17)18)9-5-10(12(15)16)19-14-9/h3-5H,1-2H3,(H,15,16).
What are the key properties of 3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 299.28 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-fluoro-4-methyl-5-methylsulfonylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117482134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).