3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide

C15H18FN3O4S — CID 50801300

IUPAC3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1nc(CS(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C15H18FN3O4S/c1-10(2)17-14(20)7-8-15-18-13(19-23-15)9-24(21,22)12-5-3-11(16)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,17,20)
InChIKeyIQQHDSCYSZICEO-UHFFFAOYSA-N
MW355.39 g/mol
LogP1.64
Rot. Bonds7

About 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide

3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide (PubChem CID 50801300) has the molecular formula C15H18FN3O4S and a molecular weight of 355.39 g/mol. Its IUPAC name is 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide.

Molecular Properties

Compound Name3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
PubChem CID50801300
Molecular FormulaC15H18FN3O4S
Molecular Weight355.39 g/mol
Exact Mass355.10
IUPAC Name3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide
SMILESCC(C)NC(=O)CCc1nc(CS(=O)(=O)c2ccc(F)cc2)no1
InChIInChI=1S/C15H18FN3O4S/c1-10(2)17-14(20)7-8-15-18-13(19-23-15)9-24(21,22)12-5-3-11(16)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,17,20)
InChIKeyIQQHDSCYSZICEO-UHFFFAOYSA-N
XLogP1.64
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.39
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide 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-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide?
The IUPAC name of 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide (CID 50801300) is 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide.
What is the SMILES notation for 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide?
The canonical SMILES for 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide is CC(C)NC(=O)CCc1nc(CS(=O)(=O)c2ccc(F)cc2)no1.
What is the InChIKey of 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide?
The InChIKey is IQQHDSCYSZICEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18FN3O4S/c1-10(2)17-14(20)7-8-15-18-13(19-23-15)9-24(21,22)12-5-3-11(16)4-6-12/h3-6,10H,7-9H2,1-2H3,(H,17,20).
What are the key properties of 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide?
3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide has a molecular weight of 355.39 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-[(4-fluorophenyl)sulfonylmethyl]-1,2,4-oxadiazol-5-yl]-N-propan-2-ylpropanamide is sourced from PubChem (CID 50801300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).