4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide

C12H15N3O4S — CID 82914595

IUPAC4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)ccc1OCc1ncon1
InChIInChI=1S/C12H15N3O4S/c1-8(2)10-5-9(20(13,16)17)3-4-11(10)18-6-12-14-7-19-15-12/h3-5,7-8H,6H2,1-2H3,(H2,13,16,17)
InChIKeyFDKXOGCAEFWDRW-UHFFFAOYSA-N
MW297.34 g/mol
LogP1.42
Rot. Bonds5

About 4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide

4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide (PubChem CID 82914595) has the molecular formula C12H15N3O4S and a molecular weight of 297.34 g/mol. Its IUPAC name is 4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide.

Molecular Properties

Compound Name4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide
PubChem CID82914595
Molecular FormulaC12H15N3O4S
Molecular Weight297.34 g/mol
Exact Mass297.08
IUPAC Name4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide
SMILESCC(C)c1cc(S(N)(=O)=O)ccc1OCc1ncon1
InChIInChI=1S/C12H15N3O4S/c1-8(2)10-5-9(20(13,16)17)3-4-11(10)18-6-12-14-7-19-15-12/h3-5,7-8H,6H2,1-2H3,(H2,13,16,17)
InChIKeyFDKXOGCAEFWDRW-UHFFFAOYSA-N
XLogP1.42
TPSA108.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.34
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide 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

3-tert-butyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide
CID 82913600
4-[(3-methyl-1,2,4-oxadiazol-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide
CID 82913829
1-[5-chloro-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 62075077
4-(2-fluoroethoxy)-3-propan-2-ylbenzenesulfonamide
CID 80695433
4-(2-ethylsulfonylethoxy)-3-propan-2-ylbenzenesulfonamide
CID 61057154
1-[2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethanamine
CID 60879008
4-but-3-ynoxy-3-propan-2-ylbenzenesulfonamide
CID 82914375
3-methyl-4-[(5-propan-2-yl-1,2,4-oxadiazol-3-yl)methoxy]benzenesulfonamide
CID 82910957
2-methyl-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide
CID 82914582
2-methyl-5-nitro-4-(1,2,4-oxadiazol-3-ylmethoxy)benzenesulfonamide
CID 82913703
4-[(2-oxo-1,3-oxazolidin-5-yl)methoxy]-3-propan-2-ylbenzenesulfonamide
CID 82911019
N-[1-[5-methyl-2-(1,2,4-oxadiazol-3-ylmethoxy)phenyl]ethyl]propan-1-amine
CID 60887882

Frequently Asked Questions

What is the IUPAC name of 4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide?
The IUPAC name of 4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide (CID 82914595) is 4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide.
What is the SMILES notation for 4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide?
The canonical SMILES for 4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide is CC(C)c1cc(S(N)(=O)=O)ccc1OCc1ncon1.
What is the InChIKey of 4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide?
The InChIKey is FDKXOGCAEFWDRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O4S/c1-8(2)10-5-9(20(13,16)17)3-4-11(10)18-6-12-14-7-19-15-12/h3-5,7-8H,6H2,1-2H3,(H2,13,16,17).
What are the key properties of 4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide?
4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide has a molecular weight of 297.34 g/mol, XLogP of 1.42, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,2,4-oxadiazol-3-ylmethoxy)-3-propan-2-ylbenzenesulfonamide is sourced from PubChem (CID 82914595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).