3-(4-fluorophenyl)-4-[(1R)-1-(methanesulfonamido)ethyl]-1,2-oxazole-5-carboxylic acid

C13H13FN2O5S — CID 75368180

IUPAC3-(4-fluorophenyl)-4-[(1R)-1-(methanesulfonamido)ethyl]-1,2-oxazole-5-carboxylic acid
SMILESC[C@@H](NS(C)(=O)=O)c1c(-c2ccc(F)cc2)noc1C(=O)O
InChIInChI=1S/C13H13FN2O5S/c1-7(16-22(2,19)20)10-11(15-21-12(10)13(17)18)8-3-5-9(14)6-4-8/h3-7,16H,1-2H3,(H,17,18)/t7-/m1/s1
InChIKeyBZOLREXKBVIDFK-SSDOTTSWSA-N
MW328.32 g/mol
LogP1.79
Rot. Bonds5

About 3-(4-fluorophenyl)-4-[(1R)-1-(methanesulfonamido)ethyl]-1,2-oxazole-5-carboxylic acid

3-(4-fluorophenyl)-4-[(1R)-1-(methanesulfonamido)ethyl]-1,2-oxazole-5-carboxylic acid (PubChem CID 75368180) has the molecular formula C13H13FN2O5S and a molecular weight of 328.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)-4-[(1R)-1-(methanesulfonamido)ethyl]-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(4-fluorophenyl)-4-[(1R)-1-(methanesulfonamido)ethyl]-1,2-oxazole-5-carboxylic acid
PubChem CID75368180
Molecular FormulaC13H13FN2O5S
Molecular Weight328.32 g/mol
Exact Mass328.05
IUPAC Name3-(4-fluorophenyl)-4-[(1R)-1-(methanesulfonamido)ethyl]-1,2-oxazole-5-carboxylic acid
SMILESC[C@@H](NS(C)(=O)=O)c1c(-c2ccc(F)cc2)noc1C(=O)O
InChIInChI=1S/C13H13FN2O5S/c1-7(16-22(2,19)20)10-11(15-21-12(10)13(17)18)8-3-5-9(14)6-4-8/h3-7,16H,1-2H3,(H,17,18)/t7-/m1/s1
InChIKeyBZOLREXKBVIDFK-SSDOTTSWSA-N
XLogP1.79
TPSA109.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.32
LogP ≤ 51.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)-4-[(1R)-1-(methanesulfonamido)ethyl]-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

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)-4-[(1R)-1-(methanesulfonamido)ethyl]-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(4-fluorophenyl)-4-[(1R)-1-(methanesulfonamido)ethyl]-1,2-oxazole-5-carboxylic acid (CID 75368180) is 3-(4-fluorophenyl)-4-[(1R)-1-(methanesulfonamido)ethyl]-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(4-fluorophenyl)-4-[(1R)-1-(methanesulfonamido)ethyl]-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(4-fluorophenyl)-4-[(1R)-1-(methanesulfonamido)ethyl]-1,2-oxazole-5-carboxylic acid is C[C@@H](NS(C)(=O)=O)c1c(-c2ccc(F)cc2)noc1C(=O)O.
What is the InChIKey of 3-(4-fluorophenyl)-4-[(1R)-1-(methanesulfonamido)ethyl]-1,2-oxazole-5-carboxylic acid?
The InChIKey is BZOLREXKBVIDFK-SSDOTTSWSA-N. The full InChI is InChI=1S/C13H13FN2O5S/c1-7(16-22(2,19)20)10-11(15-21-12(10)13(17)18)8-3-5-9(14)6-4-8/h3-7,16H,1-2H3,(H,17,18)/t7-/m1/s1.
What are the key properties of 3-(4-fluorophenyl)-4-[(1R)-1-(methanesulfonamido)ethyl]-1,2-oxazole-5-carboxylic acid?
3-(4-fluorophenyl)-4-[(1R)-1-(methanesulfonamido)ethyl]-1,2-oxazole-5-carboxylic acid has a molecular weight of 328.32 g/mol, XLogP of 1.79, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)-4-[(1R)-1-(methanesulfonamido)ethyl]-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 75368180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).