3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole

C15H19N3O — CID 106743251

IUPAC3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1CC(c2nc(Cc3ccccc3)no2)CCN1
InChIInChI=1S/C15H19N3O/c1-11-9-13(7-8-16-11)15-17-14(18-19-15)10-12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3
InChIKeyJECCPOZVCJTNSC-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.52
Rot. Bonds3

About 3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole

3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 106743251) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID106743251
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1CC(c2nc(Cc3ccccc3)no2)CCN1
InChIInChI=1S/C15H19N3O/c1-11-9-13(7-8-16-11)15-17-14(18-19-15)10-12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3
InChIKeyJECCPOZVCJTNSC-UHFFFAOYSA-N
XLogP2.52
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.34
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[(3-fluorophenyl)methyl]-5-[(2S,4S)-2-methylpiperidin-4-yl]-1,2,4-oxadiazole;hydrochloride
CID 120893889
3-[(3,4-dimethylphenyl)methyl]-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743401
5-(2-methylpiperidin-4-yl)-3-(2-phenoxyethyl)-1,2,4-oxadiazole
CID 106743238
3-[(2,6-dichlorophenyl)methyl]-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743359
3-(3-methylbutyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743345
3-[(4-methylphenyl)sulfanylmethyl]-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743508
4-(3-benzyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-one
CID 55201043
3-(tert-butylsulfanylmethyl)-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 106743452
3-[(3-methylphenyl)methyl]-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780864
4-[[5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazol-3-yl]methyl]phenol
CID 102780766
5-(2-methylpyrrolidin-3-yl)-3-(pyridin-3-ylmethyl)-1,2,4-oxadiazole
CID 79372126
5-[(2S,4S)-2-methylpiperidin-4-yl]-3-[4-(phenoxymethyl)phenyl]-1,2,4-oxadiazole
CID 120839428

Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 106743251) is 3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole is CC1CC(c2nc(Cc3ccccc3)no2)CCN1.
What is the InChIKey of 3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is JECCPOZVCJTNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-11-9-13(7-8-16-11)15-17-14(18-19-15)10-12-5-3-2-4-6-12/h2-6,11,13,16H,7-10H2,1H3.
What are the key properties of 3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole?
3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 257.34 g/mol, XLogP of 2.52, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(2-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 106743251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).