2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

C14H25N5O — CID 116807646

IUPAC2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCN1CCN(c2noc(C3(C)CCCCC3N)n2)CC1
InChIInChI=1S/C14H25N5O/c1-14(6-4-3-5-11(14)15)12-16-13(17-20-12)19-9-7-18(2)8-10-19/h11H,3-10,15H2,1-2H3
InChIKeyPPVXIMPGZNQSJH-UHFFFAOYSA-N
MW279.39 g/mol
LogP0.98
Rot. Bonds2

About 2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine

2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 116807646) has the molecular formula C14H25N5O and a molecular weight of 279.39 g/mol. Its IUPAC name is 2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID116807646
Molecular FormulaC14H25N5O
Molecular Weight279.39 g/mol
Exact Mass279.21
IUPAC Name2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCN1CCN(c2noc(C3(C)CCCCC3N)n2)CC1
InChIInChI=1S/C14H25N5O/c1-14(6-4-3-5-11(14)15)12-16-13(17-20-12)19-9-7-18(2)8-10-19/h11H,3-10,15H2,1-2H3
InChIKeyPPVXIMPGZNQSJH-UHFFFAOYSA-N
XLogP0.98
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.39
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine 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 2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 116807646) is 2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CN1CCN(c2noc(C3(C)CCCCC3N)n2)CC1.
What is the InChIKey of 2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is PPVXIMPGZNQSJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N5O/c1-14(6-4-3-5-11(14)15)12-16-13(17-20-12)19-9-7-18(2)8-10-19/h11H,3-10,15H2,1-2H3.
What are the key properties of 2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 279.39 g/mol, XLogP of 0.98, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 116807646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).