2-fluoro-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid

C12H10FNO5S — CID 43323582

IUPAC2-fluoro-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid
SMILESCc1cc(CS(=O)(=O)c2ccc(F)c(C(=O)O)c2)no1
InChIInChI=1S/C12H10FNO5S/c1-7-4-8(14-19-7)6-20(17,18)9-2-3-11(13)10(5-9)12(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyLSHUSHCZRJCSRA-UHFFFAOYSA-N
MW299.28 g/mol
LogP1.79
Rot. Bonds4

About 2-fluoro-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid

2-fluoro-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid (PubChem CID 43323582) has the molecular formula C12H10FNO5S and a molecular weight of 299.28 g/mol. Its IUPAC name is 2-fluoro-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid.

Molecular Properties

Compound Name2-fluoro-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid
PubChem CID43323582
Molecular FormulaC12H10FNO5S
Molecular Weight299.28 g/mol
Exact Mass299.03
IUPAC Name2-fluoro-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid
SMILESCc1cc(CS(=O)(=O)c2ccc(F)c(C(=O)O)c2)no1
InChIInChI=1S/C12H10FNO5S/c1-7-4-8(14-19-7)6-20(17,18)9-2-3-11(13)10(5-9)12(15)16/h2-5H,6H2,1H3,(H,15,16)
InChIKeyLSHUSHCZRJCSRA-UHFFFAOYSA-N
XLogP1.79
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.28
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-fluoro-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic 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 2-fluoro-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid?
The IUPAC name of 2-fluoro-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid (CID 43323582) is 2-fluoro-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid.
What is the SMILES notation for 2-fluoro-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid?
The canonical SMILES for 2-fluoro-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid is Cc1cc(CS(=O)(=O)c2ccc(F)c(C(=O)O)c2)no1.
What is the InChIKey of 2-fluoro-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid?
The InChIKey is LSHUSHCZRJCSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10FNO5S/c1-7-4-8(14-19-7)6-20(17,18)9-2-3-11(13)10(5-9)12(15)16/h2-5H,6H2,1H3,(H,15,16).
What are the key properties of 2-fluoro-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid?
2-fluoro-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid has a molecular weight of 299.28 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[(5-methyl-1,2-oxazol-3-yl)methylsulfonyl]benzoic acid is sourced from PubChem (CID 43323582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).