5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole

C15H19N3O — CID 95051321

IUPAC5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCCCN2Cc2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-12-16-15(19-17-12)14-9-5-6-10-18(14)11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3/t14-/m0/s1
InChIKeyOUYKZZXDMZGZJS-AWEZNQCLSA-N
MW257.34 g/mol
LogP3.11
Rot. Bonds3

About 5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole

5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole (PubChem CID 95051321) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
PubChem CID95051321
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole
SMILESCc1noc([C@@H]2CCCCN2Cc2ccccc2)n1
InChIInChI=1S/C15H19N3O/c1-12-16-15(19-17-12)14-9-5-6-10-18(14)11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3/t14-/m0/s1
InChIKeyOUYKZZXDMZGZJS-AWEZNQCLSA-N
XLogP3.11
TPSA42.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]benzoic acid
CID 122034240
5-[(2S)-1-[(2-chlorophenyl)methyl]piperidin-2-yl]-3-methyl-1,2,4-oxadiazole
CID 95110558
5-(1-benzylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 53191859
3-methyl-5-[(2S)-1-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 95817558
3-[(4-fluorophenyl)methyl]-5-[[2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 53191893
4-[(2S)-1-benzylpiperidin-2-yl]-2-methylpyrimidine
CID 95839904
5-[(2R)-1-benzylpyrrolidin-2-yl]-3-pyridin-4-yl-1,2,4-oxadiazole
CID 95147378
3-(4-fluorophenyl)-5-[[(2R)-2-(3-methyl-1,2,4-oxadiazol-5-yl)piperidin-1-yl]methyl]-1,2,4-oxadiazole
CID 95110579
6-[5-(1-benzylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]-1H-pyridin-2-one
CID 126834888
N-benzyl-2-(3-methyl-1,2,4-oxadiazol-5-yl)pyrrolidine-1-carboxamide
CID 90564298
5-[(2S)-1-benzylpyrrolidin-2-yl]-3-methyl-1,2-oxazole
CID 66854958
4-(1-benzylpyrrolidin-2-yl)-3,5-dimethyl-1,2-oxazole
CID 53009622

Frequently Asked Questions

What is the IUPAC name of 5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole (CID 95051321) is 5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole is Cc1noc([C@@H]2CCCCN2Cc2ccccc2)n1.
What is the InChIKey of 5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole?
The InChIKey is OUYKZZXDMZGZJS-AWEZNQCLSA-N. The full InChI is InChI=1S/C15H19N3O/c1-12-16-15(19-17-12)14-9-5-6-10-18(14)11-13-7-3-2-4-8-13/h2-4,7-8,14H,5-6,9-11H2,1H3/t14-/m0/s1.
What are the key properties of 5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole?
5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole has a molecular weight of 257.34 g/mol, XLogP of 3.11, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2S)-1-benzylpiperidin-2-yl]-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 95051321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).