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

C11H19N5O — CID 126891800

IUPAC3-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,5-oxadiazole
SMILESCN1CCN(C2CN(Cc3cnon3)C2)CC1
InChIInChI=1S/C11H19N5O/c1-14-2-4-16(5-3-14)11-8-15(9-11)7-10-6-12-17-13-10/h6,11H,2-5,7-9H2,1H3
InChIKeyLGAKFGOUBCRIHE-UHFFFAOYSA-N
MW237.31 g/mol
LogP-0.50
Rot. Bonds3

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

3-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,5-oxadiazole (PubChem CID 126891800) has the molecular formula C11H19N5O and a molecular weight of 237.31 g/mol. Its IUPAC name is 3-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,5-oxadiazole.

Molecular Properties

Compound Name3-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,5-oxadiazole
PubChem CID126891800
Molecular FormulaC11H19N5O
Molecular Weight237.31 g/mol
Exact Mass237.16
IUPAC Name3-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,5-oxadiazole
SMILESCN1CCN(C2CN(Cc3cnon3)C2)CC1
InChIInChI=1S/C11H19N5O/c1-14-2-4-16(5-3-14)11-8-15(9-11)7-10-6-12-17-13-10/h6,11H,2-5,7-9H2,1H3
InChIKeyLGAKFGOUBCRIHE-UHFFFAOYSA-N
XLogP-0.50
TPSA48.64 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 5-0.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 3-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,5-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,5-oxadiazole?
The IUPAC name of 3-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,5-oxadiazole (CID 126891800) is 3-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,5-oxadiazole.
What is the SMILES notation for 3-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,5-oxadiazole?
The canonical SMILES for 3-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,5-oxadiazole is CN1CCN(C2CN(Cc3cnon3)C2)CC1.
What is the InChIKey of 3-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,5-oxadiazole?
The InChIKey is LGAKFGOUBCRIHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O/c1-14-2-4-16(5-3-14)11-8-15(9-11)7-10-6-12-17-13-10/h6,11H,2-5,7-9H2,1H3.
What are the key properties of 3-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,5-oxadiazole?
3-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,5-oxadiazole has a molecular weight of 237.31 g/mol, XLogP of -0.50, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[3-(4-methylpiperazin-1-yl)azetidin-1-yl]methyl]-1,2,5-oxadiazole is sourced from PubChem (CID 126891800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).