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

C11H8FNO5S — CID 90031331

IUPAC5-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCS(=O)(=O)c1ccc(-c2cc(C(=O)O)no2)c(F)c1
InChIInChI=1S/C11H8FNO5S/c1-19(16,17)6-2-3-7(8(12)4-6)10-5-9(11(14)15)13-18-10/h2-5H,1H3,(H,14,15)
InChIKeyPGESNNBJTSXYMB-UHFFFAOYSA-N
MW285.25 g/mol
LogP1.58
Rot. Bonds3

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

5-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 90031331) has the molecular formula C11H8FNO5S and a molecular weight of 285.25 g/mol. Its IUPAC name is 5-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID90031331
Molecular FormulaC11H8FNO5S
Molecular Weight285.25 g/mol
Exact Mass285.01
IUPAC Name5-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCS(=O)(=O)c1ccc(-c2cc(C(=O)O)no2)c(F)c1
InChIInChI=1S/C11H8FNO5S/c1-19(16,17)6-2-3-7(8(12)4-6)10-5-9(11(14)15)13-18-10/h2-5H,1H3,(H,14,15)
InChIKeyPGESNNBJTSXYMB-UHFFFAOYSA-N
XLogP1.58
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.25
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazole-3-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

Frequently Asked Questions

What is the IUPAC name of 5-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid (CID 90031331) is 5-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid is CS(=O)(=O)c1ccc(-c2cc(C(=O)O)no2)c(F)c1.
What is the InChIKey of 5-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is PGESNNBJTSXYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO5S/c1-19(16,17)6-2-3-7(8(12)4-6)10-5-9(11(14)15)13-18-10/h2-5H,1H3,(H,14,15).
What are the key properties of 5-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 285.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 90031331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).