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

C15H19N3O — CID 63123739

IUPAC3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1(c2nc(Cc3ccccc3)no2)CCNCC1
InChIInChI=1S/C15H19N3O/c1-15(7-9-16-10-8-15)14-17-13(18-19-14)11-12-5-3-2-4-6-12/h2-6,16H,7-11H2,1H3
InChIKeyFLCNHQZDBGMIHV-UHFFFAOYSA-N
MW257.34 g/mol
LogP2.30
Rot. Bonds3

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

3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 63123739) has the molecular formula C15H19N3O and a molecular weight of 257.34 g/mol. Its IUPAC name is 3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID63123739
Molecular FormulaC15H19N3O
Molecular Weight257.34 g/mol
Exact Mass257.15
IUPAC Name3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCC1(c2nc(Cc3ccccc3)no2)CCNCC1
InChIInChI=1S/C15H19N3O/c1-15(7-9-16-10-8-15)14-17-13(18-19-14)11-12-5-3-2-4-6-12/h2-6,16H,7-11H2,1H3
InChIKeyFLCNHQZDBGMIHV-UHFFFAOYSA-N
XLogP2.30
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 ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole (CID 63123739) is 3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is CC1(c2nc(Cc3ccccc3)no2)CCNCC1.
What is the InChIKey of 3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is FLCNHQZDBGMIHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O/c1-15(7-9-16-10-8-15)14-17-13(18-19-14)11-12-5-3-2-4-6-12/h2-6,16H,7-11H2,1H3.
What are the key properties of 3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole?
3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 257.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63123739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).