3-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]benzenesulfonamide

C16H20N4O4S — CID 167853061

IUPAC3-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]benzenesulfonamide
SMILESCC(C)(C)c1noc(C2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n1
InChIInChI=1S/C16H20N4O4S/c1-16(2,3)15-18-14(24-19-15)10-7-13(21)20(9-10)11-5-4-6-12(8-11)25(17,22)23/h4-6,8,10H,7,9H2,1-3H3,(H2,17,22,23)
InChIKeyMMXJIEQYKNOPJI-UHFFFAOYSA-N
MW364.43 g/mol
LogP1.53
Rot. Bonds3

About 3-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]benzenesulfonamide

3-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]benzenesulfonamide (PubChem CID 167853061) has the molecular formula C16H20N4O4S and a molecular weight of 364.43 g/mol. Its IUPAC name is 3-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]benzenesulfonamide.

Molecular Properties

Compound Name3-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]benzenesulfonamide
PubChem CID167853061
Molecular FormulaC16H20N4O4S
Molecular Weight364.43 g/mol
Exact Mass364.12
IUPAC Name3-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]benzenesulfonamide
SMILESCC(C)(C)c1noc(C2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n1
InChIInChI=1S/C16H20N4O4S/c1-16(2,3)15-18-14(24-19-15)10-7-13(21)20(9-10)11-5-4-6-12(8-11)25(17,22)23/h4-6,8,10H,7,9H2,1-3H3,(H2,17,22,23)
InChIKeyMMXJIEQYKNOPJI-UHFFFAOYSA-N
XLogP1.53
TPSA119.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.43
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4R)-4-(3-methyl-1,2,4-oxadiazol-5-yl)-1-(3-methylphenyl)pyrrolidin-2-one
CID 51894123
(4R)-1-(3-chlorophenyl)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492742
(4S)-4-[3-[2-(benzenesulfonyl)ethyl]-1,2,4-oxadiazol-5-yl]-1-(4-methylphenyl)pyrrolidin-2-one
CID 95050531
2,2-dimethyl-3-[[5-oxo-1-(3-sulfamoylphenyl)pyrrolidine-3-carbonyl]amino]propanoic acid
CID 119249569
(4R)-4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-1-phenylpyrrolidin-2-one
CID 41014813
(4R)-1-(3-chlorophenyl)-4-[3-(4-propan-2-ylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 93492744
(4R)-1-(3-chlorophenyl)-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586088
(4R)-1-(3-chlorophenyl)-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 97043823
(4S)-1-(3-chlorophenyl)-4-[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 42586089
(4R)-1-(3-chlorophenyl)-4-[3-[3-(2-cyclopropyl-1,3-thiazol-4-yl)phenyl]-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
CID 95116407
4-[3-(1-methylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-1-(3-methylsulfanylphenyl)pyrrolidin-2-one
CID 120958198
(4R)-1-(4-chlorophenyl)-4-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidin-2-one
CID 51896227

Frequently Asked Questions

What is the IUPAC name of 3-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]benzenesulfonamide?
The IUPAC name of 3-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]benzenesulfonamide (CID 167853061) is 3-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]benzenesulfonamide.
What is the SMILES notation for 3-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]benzenesulfonamide?
The canonical SMILES for 3-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]benzenesulfonamide is CC(C)(C)c1noc(C2CC(=O)N(c3cccc(S(N)(=O)=O)c3)C2)n1.
What is the InChIKey of 3-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]benzenesulfonamide?
The InChIKey is MMXJIEQYKNOPJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O4S/c1-16(2,3)15-18-14(24-19-15)10-7-13(21)20(9-10)11-5-4-6-12(8-11)25(17,22)23/h4-6,8,10H,7,9H2,1-3H3,(H2,17,22,23).
What are the key properties of 3-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]benzenesulfonamide?
3-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]benzenesulfonamide has a molecular weight of 364.43 g/mol, XLogP of 1.53, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-2-oxopyrrolidin-1-yl]benzenesulfonamide is sourced from PubChem (CID 167853061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).