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

C13H23N5O — CID 116807650

IUPAC1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCN1CCN(c2noc(C3(N)CCCCC3)n2)CC1
InChIInChI=1S/C13H23N5O/c1-17-7-9-18(10-8-17)12-15-11(19-16-12)13(14)5-3-2-4-6-13/h2-10,14H2,1H3
InChIKeyGZNXKOZIFLRFFO-UHFFFAOYSA-N
MW265.36 g/mol
LogP0.94
Rot. Bonds2

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

1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 116807650) has the molecular formula C13H23N5O and a molecular weight of 265.36 g/mol. Its IUPAC name is 1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID116807650
Molecular FormulaC13H23N5O
Molecular Weight265.36 g/mol
Exact Mass265.19
IUPAC Name1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCN1CCN(c2noc(C3(N)CCCCC3)n2)CC1
InChIInChI=1S/C13H23N5O/c1-17-7-9-18(10-8-17)12-15-11(19-16-12)13(14)5-3-2-4-6-13/h2-10,14H2,1H3
InChIKeyGZNXKOZIFLRFFO-UHFFFAOYSA-N
XLogP0.94
TPSA71.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.36
LogP ≤ 50.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-methyl-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 116807646
3-(4-methylpiperazin-1-yl)-5-(3-propylpiperidin-3-yl)-1,2,4-oxadiazole
CID 116807805
[1-[3-(azepan-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 116808128
4-ethyl-1-(3-morpholin-4-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 116807596
[1-(3-pyrrolidin-1-yl-1,2,4-oxadiazol-5-yl)cyclopentyl]methanamine
CID 116806535
1-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 61292338
(1S)-3-methyl-1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104904377
3-(azepan-1-yl)-5-(2-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 116807938
1-(3-butyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 79404339
(1S)-2-methyl-1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900402
2-methoxy-2-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 106109397
1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 65391882

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 116807650) is 1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CN1CCN(c2noc(C3(N)CCCCC3)n2)CC1.
What is the InChIKey of 1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is GZNXKOZIFLRFFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N5O/c1-17-7-9-18(10-8-17)12-15-11(19-16-12)13(14)5-3-2-4-6-13/h2-10,14H2,1H3.
What are the key properties of 1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 265.36 g/mol, XLogP of 0.94, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(4-methylpiperazin-1-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 116807650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).