N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide

C20H26N4O4S — CID 53205246

IUPACN-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(-c3noc(C(=O)NC4CCCC4)n3)cc2)CC1
InChIInChI=1S/C20H26N4O4S/c1-14-10-12-24(13-11-14)29(26,27)17-8-6-15(7-9-17)18-22-20(28-23-18)19(25)21-16-4-2-3-5-16/h6-9,14,16H,2-5,10-13H2,1H3,(H,21,25)
InChIKeyLVVOCLHRNVCUBY-UHFFFAOYSA-N
MW418.52 g/mol
LogP2.83
Rot. Bonds5

About N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide

N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide (PubChem CID 53205246) has the molecular formula C20H26N4O4S and a molecular weight of 418.52 g/mol. Its IUPAC name is N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide.

Molecular Properties

Compound NameN-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide
PubChem CID53205246
Molecular FormulaC20H26N4O4S
Molecular Weight418.52 g/mol
Exact Mass418.17
IUPAC NameN-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide
SMILESCC1CCN(S(=O)(=O)c2ccc(-c3noc(C(=O)NC4CCCC4)n3)cc2)CC1
InChIInChI=1S/C20H26N4O4S/c1-14-10-12-24(13-11-14)29(26,27)17-8-6-15(7-9-17)18-22-20(28-23-18)19(25)21-16-4-2-3-5-16/h6-9,14,16H,2-5,10-13H2,1H3,(H,21,25)
InChIKeyLVVOCLHRNVCUBY-UHFFFAOYSA-N
XLogP2.83
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.52
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 53010217
N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)phenyl]-1,2,4-oxadiazole-5-carboxamide
CID 50827804
N-[2-(dimethylamino)ethyl]-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide
CID 53205247
N-[[3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazol-5-yl]methyl]-2-phenylacetamide
CID 20933995
N-cycloheptyl-5-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3,4-oxadiazole-2-carboxamide
CID 46393391
N-(oxolan-2-ylmethyl)-3-(4-piperidin-1-ylsulfonylphenyl)-1,2,4-oxadiazole-5-carboxamide
CID 53010218
5-(3,5-dimethylphenyl)-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075313
3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-5-pyrazin-2-yl-1,2,4-oxadiazole
CID 53006809
N-[3-(cyclohexylamino)-3-oxopropyl]-4-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 55951815
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
N-cyclohexyl-3-[3-(4-pyrrolidin-1-ylsulfonylphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxamide
CID 648652
5-[(4-methylphenyl)methyl]-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole
CID 53075347

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide?
The IUPAC name of N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide (CID 53205246) is N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide.
What is the SMILES notation for N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide?
The canonical SMILES for N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide is CC1CCN(S(=O)(=O)c2ccc(-c3noc(C(=O)NC4CCCC4)n3)cc2)CC1.
What is the InChIKey of N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide?
The InChIKey is LVVOCLHRNVCUBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O4S/c1-14-10-12-24(13-11-14)29(26,27)17-8-6-15(7-9-17)18-22-20(28-23-18)19(25)21-16-4-2-3-5-16/h6-9,14,16H,2-5,10-13H2,1H3,(H,21,25).
What are the key properties of N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide?
N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide has a molecular weight of 418.52 g/mol, XLogP of 2.83, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-3-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]-1,2,4-oxadiazole-5-carboxamide is sourced from PubChem (CID 53205246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).