2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide

C16H18ClN3O4S — CID 55703457

IUPAC2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide
SMILESO=C(CS(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1)NC1CCCC1
InChIInChI=1S/C16H18ClN3O4S/c17-12-7-5-11(6-8-12)16-19-15(24-20-16)10-25(22,23)9-14(21)18-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,18,21)
InChIKeyCXCDUYYSMOSHPI-UHFFFAOYSA-N
MW383.86 g/mol
LogP2.36
Rot. Bonds6

About 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide

2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide (PubChem CID 55703457) has the molecular formula C16H18ClN3O4S and a molecular weight of 383.86 g/mol. Its IUPAC name is 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide.

Molecular Properties

Compound Name2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide
PubChem CID55703457
Molecular FormulaC16H18ClN3O4S
Molecular Weight383.86 g/mol
Exact Mass383.07
IUPAC Name2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide
SMILESO=C(CS(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1)NC1CCCC1
InChIInChI=1S/C16H18ClN3O4S/c17-12-7-5-11(6-8-12)16-19-15(24-20-16)10-25(22,23)9-14(21)18-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,18,21)
InChIKeyCXCDUYYSMOSHPI-UHFFFAOYSA-N
XLogP2.36
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.86
LogP ≤ 52.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide 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-cyclopentyl-2-[[3-(3,4-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]acetamide
CID 55596158
4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-cyclooctylbutanamide
CID 39896911
3-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-piperidin-4-ylpropanamide
CID 119386389
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-N-cycloheptylpiperidine-4-carboxamide
CID 38157346
1-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-3-cyclohexyl-2-methylguanidine
CID 111612263
N-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methyl]-2-cyclohexylacetamide
CID 2989974
2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-cyclopropylethanone
CID 63346525
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
N-cyclohexyl-2-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methylsulfanyl]acetamide
CID 46276348
N-[2-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]ethyl]cyclohexanecarboxamide
CID 4897572
N-[2-(cycloheptylamino)-2-oxoethyl]-4-(5-ethyl-1,2,4-oxadiazol-3-yl)benzamide
CID 46323990
N-cyclopentyl-4-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]butanamide
CID 2984448

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide?
The IUPAC name of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide (CID 55703457) is 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide.
What is the SMILES notation for 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide?
The canonical SMILES for 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide is O=C(CS(=O)(=O)Cc1nc(-c2ccc(Cl)cc2)no1)NC1CCCC1.
What is the InChIKey of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide?
The InChIKey is CXCDUYYSMOSHPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18ClN3O4S/c17-12-7-5-11(6-8-12)16-19-15(24-20-16)10-25(22,23)9-14(21)18-13-3-1-2-4-13/h5-8,13H,1-4,9-10H2,(H,18,21).
What are the key properties of 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide?
2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide has a molecular weight of 383.86 g/mol, XLogP of 2.36, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]methylsulfonyl]-N-cyclopentylacetamide is sourced from PubChem (CID 55703457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).