3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole

C16H20ClN3O3S — CID 110224432

IUPAC3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(C2CCN(S(=O)(=O)c3cccc(Cl)c3)C2)n1
InChIInChI=1S/C16H20ClN3O3S/c1-16(2,3)15-18-14(23-19-15)11-7-8-20(10-11)24(21,22)13-6-4-5-12(17)9-13/h4-6,9,11H,7-8,10H2,1-3H3
InChIKeyVLGLWUQZZYGKNK-UHFFFAOYSA-N
MW369.87 g/mol
LogP3.20
Rot. Bonds3

About 3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole

3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole (PubChem CID 110224432) has the molecular formula C16H20ClN3O3S and a molecular weight of 369.87 g/mol. Its IUPAC name is 3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole
PubChem CID110224432
Molecular FormulaC16H20ClN3O3S
Molecular Weight369.87 g/mol
Exact Mass369.09
IUPAC Name3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole
SMILESCC(C)(C)c1noc(C2CCN(S(=O)(=O)c3cccc(Cl)c3)C2)n1
InChIInChI=1S/C16H20ClN3O3S/c1-16(2,3)15-18-14(23-19-15)11-7-8-20(10-11)24(21,22)13-6-4-5-12(17)9-13/h4-6,9,11H,7-8,10H2,1-3H3
InChIKeyVLGLWUQZZYGKNK-UHFFFAOYSA-N
XLogP3.20
TPSA76.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.87
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole 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-5-[1-(3-fluorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole
CID 110224431
5-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-(4-propan-2-ylphenyl)-1,2,4-oxadiazole
CID 6557844
5-[1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-3-thiophen-2-yl-1,2,4-oxadiazole
CID 3226245
5-[1-(benzenesulfonyl)azetidin-3-yl]-3-(3-chlorophenyl)-1,2,4-oxadiazole
CID 121095496
1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119971605
(3S)-1-(3-chlorophenyl)sulfonylpyrrolidin-3-amine;hydrochloride
CID 119993468
4-(1-chloroethyl)-1-(3-chlorophenyl)sulfonylpiperidine
CID 106839553
2-[(3R)-1-(3-chlorophenyl)sulfonylpiperidin-3-yl]-5-thiophen-2-yl-1,3,4-oxadiazole
CID 92568392
3-propan-2-yl-5-[1-[3-(trifluoromethyl)phenyl]sulfonylazetidin-3-yl]-1,2,4-oxadiazole
CID 121098873
3-tert-butyl-5-[1-[(3-methylphenyl)methyl]pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 46956676
5-[(3R)-1-(3-fluoro-2-methylphenyl)sulfonylpyrrolidin-3-yl]-3-methyl-1,2,4-oxadiazole
CID 129491455
5-[(3R)-1-(benzenesulfonyl)piperidin-3-yl]-3-(4-chlorophenyl)-1,2,4-oxadiazole
CID 1456856

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole (CID 110224432) is 3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole is CC(C)(C)c1noc(C2CCN(S(=O)(=O)c3cccc(Cl)c3)C2)n1.
What is the InChIKey of 3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole?
The InChIKey is VLGLWUQZZYGKNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClN3O3S/c1-16(2,3)15-18-14(23-19-15)11-7-8-20(10-11)24(21,22)13-6-4-5-12(17)9-13/h4-6,9,11H,7-8,10H2,1-3H3.
What are the key properties of 3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole?
3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole has a molecular weight of 369.87 g/mol, XLogP of 3.20, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-tert-butyl-5-[1-(3-chlorophenyl)sulfonylpyrrolidin-3-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 110224432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).