3-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

C13H13FN2O4S — CID 7254383

IUPAC3-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C13H13FN2O4S/c1-9-8-12(16-20-9)15-13(17)6-7-21(18,19)11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,16,17)
InChIKeyBJNPYQBMKNFEHE-UHFFFAOYSA-N
MW312.32 g/mol
LogP1.92
Rot. Bonds5

About 3-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide

3-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (PubChem CID 7254383) has the molecular formula C13H13FN2O4S and a molecular weight of 312.32 g/mol. Its IUPAC name is 3-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.

Molecular Properties

Compound Name3-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
PubChem CID7254383
Molecular FormulaC13H13FN2O4S
Molecular Weight312.32 g/mol
Exact Mass312.06
IUPAC Name3-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide
SMILESCc1cc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C13H13FN2O4S/c1-9-8-12(16-20-9)15-13(17)6-7-21(18,19)11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,16,17)
InChIKeyBJNPYQBMKNFEHE-UHFFFAOYSA-N
XLogP1.92
TPSA89.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.32
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide 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

N-(5-tert-butyl-1,2-oxazol-3-yl)-2-methyl-2-[4-(trifluoromethyl)phenyl]sulfonylpropanamide
CID 22474540
2-(4-fluorophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2106167
N-(5-Methyl-isoxazol-3-yl)-2-(toluene-4-sulfonyl)-acetamide
CID 2969761
N-(5-methyl-1,2-oxazol-3-yl)-3-(4-methylphenyl)sulfanylpropanamide
CID 7254602
N-(5-tert-butylisoxazol-3-yl)-2-(4-chlorophenylsulfonyl)-2-methylpropanamide
CID 24856117
Acetylsulfisomezole
CID 87725
2-[(4-chlorophenyl)sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 676219
2-(4-acetamidophenyl)sulfanyl-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 2084474
2-((4-chlorophenyl)sulfonyl)-N-(5-methylisoxazol-3-yl)acetamide
CID 7254252
2-(4-chlorophenylsulfonyl)-2-methyl-N-(5-methylisoxazol-3-yl)propanamide
CID 44569589
2-(benzylsulfanyl)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 890849
2-((7-fluoro-1,1-dioxido-4H-benzo[e][1,2,4]thiadiazin-3-yl)thio)-N-(5-methylisoxazol-3-yl)acetamide
CID 7386908

Frequently Asked Questions

What is the IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The IUPAC name of 3-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide (CID 7254383) is 3-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide.
What is the SMILES notation for 3-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The canonical SMILES for 3-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is Cc1cc(NC(=O)CCS(=O)(=O)c2ccc(F)cc2)no1.
What is the InChIKey of 3-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
The InChIKey is BJNPYQBMKNFEHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13FN2O4S/c1-9-8-12(16-20-9)15-13(17)6-7-21(18,19)11-4-2-10(14)3-5-11/h2-5,8H,6-7H2,1H3,(H,15,16,17).
What are the key properties of 3-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide?
3-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide has a molecular weight of 312.32 g/mol, XLogP of 1.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-fluorophenyl)sulfonyl-N-(5-methyl-1,2-oxazol-3-yl)propanamide is sourced from PubChem (CID 7254383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).