[(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone

C24H22ClN5O3 — CID 67159001

IUPAC[(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESCc1noc(-c2ccccc2C(=O)N2CCCC[C@H]2Cc2nnc(-c3cccc(Cl)c3)o2)n1
InChIInChI=1S/C24H22ClN5O3/c1-15-26-23(33-29-15)19-10-2-3-11-20(19)24(31)30-12-5-4-9-18(30)14-21-27-28-22(32-21)16-7-6-8-17(25)13-16/h2-3,6-8,10-11,13,18H,4-5,9,12,14H2,1H3/t18-/m0/s1
InChIKeyNOHKRKFLMSHBTI-SFHVURJKSA-N
MW463.93 g/mol
LogP4.99
Rot. Bonds5

About [(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone

[(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (PubChem CID 67159001) has the molecular formula C24H22ClN5O3 and a molecular weight of 463.93 g/mol. Its IUPAC name is [(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.

Molecular Properties

Compound Name[(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
PubChem CID67159001
Molecular FormulaC24H22ClN5O3
Molecular Weight463.93 g/mol
Exact Mass463.14
IUPAC Name[(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
SMILESCc1noc(-c2ccccc2C(=O)N2CCCC[C@H]2Cc2nnc(-c3cccc(Cl)c3)o2)n1
InChIInChI=1S/C24H22ClN5O3/c1-15-26-23(33-29-15)19-10-2-3-11-20(19)24(31)30-12-5-4-9-18(30)14-21-27-28-22(32-21)16-7-6-8-17(25)13-16/h2-3,6-8,10-11,13,18H,4-5,9,12,14H2,1H3/t18-/m0/s1
InChIKeyNOHKRKFLMSHBTI-SFHVURJKSA-N
XLogP4.99
TPSA98.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.93
LogP ≤ 54.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[2-[[5-(4-fluorophenyl)-1H-imidazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 67158401
2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-1-[(2S)-2-ethylpiperidin-1-yl]ethanone
CID 2155789
[(2S)-2-[[5-(3-fluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[2-(4-methoxyphenyl)-5-nitrophenyl]methanone
CID 67158686
[(2R)-2-ethylpiperidin-1-yl]-[2-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]phenyl]methanone
CID 2034209
tert-butyl 2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidine-1-carboxylate
CID 86629001
(3-hydroxypiperidin-1-yl)-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 111462892
[(2S)-2-[[5-(2,5-difluorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[5-(4-fluorophenyl)-2-methyl-1,3-thiazol-4-yl]methanone
CID 67157956
[2-(2-hydroxyethyl)piperidin-1-yl]-[4-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 110886981
2-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenoxy]-1-[2-(2-pyrrolidin-1-ylethyl)piperidin-1-yl]ethanone
CID 46957283
[(2S)-2-(2-hydroxyethyl)piperidin-1-yl]-[2-[(3-methyl-1,2,4-oxadiazol-5-yl)methylamino]phenyl]methanone
CID 95981882
2-(3-chlorophenyl)-5-(3,4-dihydro-1H-isoquinolin-2-ylmethyl)-1,3,4-oxadiazole
CID 22432333
[2-[6-methyl-5-(3-methylpyrrolidin-1-yl)pyrazolo[1,5-a]pyrimidin-2-yl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone
CID 123215405

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The IUPAC name of [(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone (CID 67159001) is [(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone.
What is the SMILES notation for [(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The canonical SMILES for [(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is Cc1noc(-c2ccccc2C(=O)N2CCCC[C@H]2Cc2nnc(-c3cccc(Cl)c3)o2)n1.
What is the InChIKey of [(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
The InChIKey is NOHKRKFLMSHBTI-SFHVURJKSA-N. The full InChI is InChI=1S/C24H22ClN5O3/c1-15-26-23(33-29-15)19-10-2-3-11-20(19)24(31)30-12-5-4-9-18(30)14-21-27-28-22(32-21)16-7-6-8-17(25)13-16/h2-3,6-8,10-11,13,18H,4-5,9,12,14H2,1H3/t18-/m0/s1.
What are the key properties of [(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone?
[(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone has a molecular weight of 463.93 g/mol, XLogP of 4.99, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]methyl]piperidin-1-yl]-[2-(3-methyl-1,2,4-oxadiazol-5-yl)phenyl]methanone is sourced from PubChem (CID 67159001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).