3-[(5-benzyl-2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

C15H20N4O — CID 106408677

IUPAC3-[(5-benzyl-2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1CNC(Cc2ccccc2)CN1Cc1ncon1
InChIInChI=1S/C15H20N4O/c1-12-8-16-14(7-13-5-3-2-4-6-13)9-19(12)10-15-17-11-20-18-15/h2-6,11-12,14,16H,7-10H2,1H3
InChIKeyKROFQXSJSZVYPF-UHFFFAOYSA-N
MW272.35 g/mol
LogP1.47
Rot. Bonds4

About 3-[(5-benzyl-2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole

3-[(5-benzyl-2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (PubChem CID 106408677) has the molecular formula C15H20N4O and a molecular weight of 272.35 g/mol. Its IUPAC name is 3-[(5-benzyl-2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(5-benzyl-2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
PubChem CID106408677
Molecular FormulaC15H20N4O
Molecular Weight272.35 g/mol
Exact Mass272.16
IUPAC Name3-[(5-benzyl-2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
SMILESCC1CNC(Cc2ccccc2)CN1Cc1ncon1
InChIInChI=1S/C15H20N4O/c1-12-8-16-14(7-13-5-3-2-4-6-13)9-19(12)10-15-17-11-20-18-15/h2-6,11-12,14,16H,7-10H2,1H3
InChIKeyKROFQXSJSZVYPF-UHFFFAOYSA-N
XLogP1.47
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(5-benzyl-2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[(5-benzyl-2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole (CID 106408677) is 3-[(5-benzyl-2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(5-benzyl-2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[(5-benzyl-2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is CC1CNC(Cc2ccccc2)CN1Cc1ncon1.
What is the InChIKey of 3-[(5-benzyl-2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
The InChIKey is KROFQXSJSZVYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O/c1-12-8-16-14(7-13-5-3-2-4-6-13)9-19(12)10-15-17-11-20-18-15/h2-6,11-12,14,16H,7-10H2,1H3.
What are the key properties of 3-[(5-benzyl-2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole?
3-[(5-benzyl-2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 1.47, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-benzyl-2-methylpiperazin-1-yl)methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106408677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).