1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine

C15H27N5O — CID 79663441

IUPAC1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc(C3CN(C)CCN3C)no2)C1
InChIInChI=1S/C15H27N5O/c1-11-5-4-6-15(16,9-11)14-17-13(18-21-14)12-10-19(2)7-8-20(12)3/h11-12H,4-10,16H2,1-3H3
InChIKeyJOCLIUYYWHRYQF-UHFFFAOYSA-N
MW293.42 g/mol
LogP1.35
Rot. Bonds2

About 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine

1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine (PubChem CID 79663441) has the molecular formula C15H27N5O and a molecular weight of 293.42 g/mol. Its IUPAC name is 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
PubChem CID79663441
Molecular FormulaC15H27N5O
Molecular Weight293.42 g/mol
Exact Mass293.22
IUPAC Name1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc(C3CN(C)CCN3C)no2)C1
InChIInChI=1S/C15H27N5O/c1-11-5-4-6-15(16,9-11)14-17-13(18-21-14)12-10-19(2)7-8-20(12)3/h11-12H,4-10,16H2,1-3H3
InChIKeyJOCLIUYYWHRYQF-UHFFFAOYSA-N
XLogP1.35
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.42
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine
CID 64981922
3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 61289970
2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 113308049
3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2,3-dimethylbutan-2-amine
CID 79659449
cis-(1S,3R)-3-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323453
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
CID 61291082
1-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
CID 61292404
3-(1,4-dimethylpiperazin-2-yl)-5-(piperidin-4-ylmethyl)-1,2,4-oxadiazole
CID 79659293
2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103979863
3-methyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 106847195
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-2-amine
CID 79658870
1-cyclopropyl-2-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 79666053

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine?
The IUPAC name of 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine (CID 79663441) is 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine is CC1CCCC(N)(c2nc(C3CN(C)CCN3C)no2)C1.
What is the InChIKey of 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine?
The InChIKey is JOCLIUYYWHRYQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N5O/c1-11-5-4-6-15(16,9-11)14-17-13(18-21-14)12-10-19(2)7-8-20(12)3/h11-12H,4-10,16H2,1-3H3.
What are the key properties of 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine?
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine has a molecular weight of 293.42 g/mol, XLogP of 1.35, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine is sourced from PubChem (CID 79663441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).