N-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide

C21H24N4O3S — CID 118173534

IUPACN-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C2CCN(Cc3nnc(-c4ccccc4)o3)CC2)c1
InChIInChI=1S/C21H24N4O3S/c1-29(26,27)24-19-9-5-8-18(14-19)16-10-12-25(13-11-16)15-20-22-23-21(28-20)17-6-3-2-4-7-17/h2-9,14,16,24H,10-13,15H2,1H3
InChIKeyOMJZXJWLRCAUOY-UHFFFAOYSA-N
MW412.52 g/mol
LogP3.49
Rot. Bonds6

About N-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide

N-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide (PubChem CID 118173534) has the molecular formula C21H24N4O3S and a molecular weight of 412.52 g/mol. Its IUPAC name is N-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide
PubChem CID118173534
Molecular FormulaC21H24N4O3S
Molecular Weight412.52 g/mol
Exact Mass412.16
IUPAC NameN-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1cccc(C2CCN(Cc3nnc(-c4ccccc4)o3)CC2)c1
InChIInChI=1S/C21H24N4O3S/c1-29(26,27)24-19-9-5-8-18(14-19)16-10-12-25(13-11-16)15-20-22-23-21(28-20)17-6-3-2-4-7-17/h2-9,14,16,24H,10-13,15H2,1H3
InChIKeyOMJZXJWLRCAUOY-UHFFFAOYSA-N
XLogP3.49
TPSA88.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.52
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-phenyl-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643022
2-[[4-(1-methylpyrazol-4-yl)piperidin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 86773571
2-(3-chlorophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 43913168
2-(3-bromophenyl)-5-[(3-phenylpyrrolidin-1-yl)methyl]-1,3,4-oxadiazole
CID 43913162
2-(2-bromophenyl)-5-[(4-phenylpiperidin-1-yl)methyl]-1,3,4-oxadiazole
CID 46643063
N-[3-[1-[[1-(4,4-difluorocyclohexyl)triazol-4-yl]methyl]piperidin-4-yl]phenyl]methanesulfonamide
CID 118173381
N-phenyl-2-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]acetamide
CID 31691706
4-methyl-1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-3-ol
CID 103898404
2-[(4-benzylpiperidin-1-yl)methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 71901584
[(2R)-oxolan-2-yl]-[4-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
CID 29235172
2-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-5-(3-methylphenyl)-1,3,4-oxadiazole
CID 8692407
(3aR,7aS)-5-methyl-2-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]-1,3,3a,6,7,7a-hexahydropyrrolo[3,4-c]pyridin-4-one
CID 138377740

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide?
The IUPAC name of N-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide (CID 118173534) is N-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide?
The canonical SMILES for N-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1cccc(C2CCN(Cc3nnc(-c4ccccc4)o3)CC2)c1.
What is the InChIKey of N-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide?
The InChIKey is OMJZXJWLRCAUOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O3S/c1-29(26,27)24-19-9-5-8-18(14-19)16-10-12-25(13-11-16)15-20-22-23-21(28-20)17-6-3-2-4-7-17/h2-9,14,16,24H,10-13,15H2,1H3.
What are the key properties of N-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide?
N-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide has a molecular weight of 412.52 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(5-phenyl-1,3,4-oxadiazol-2-yl)methyl]piperidin-4-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 118173534), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).