1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine

C13H21N3O — CID 64981922

IUPAC1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc(C3CCC3)no2)C1
InChIInChI=1S/C13H21N3O/c1-9-4-3-7-13(14,8-9)12-15-11(16-17-12)10-5-2-6-10/h9-10H,2-8,14H2,1H3
InChIKeyMMQIPYKBZVOSDK-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.70
Rot. Bonds2

About 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine

1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine (PubChem CID 64981922) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine.

Molecular Properties

Compound Name1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine
PubChem CID64981922
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine
SMILESCC1CCCC(N)(c2nc(C3CCC3)no2)C1
InChIInChI=1S/C13H21N3O/c1-9-4-3-7-13(14,8-9)12-15-11(16-17-12)10-5-2-6-10/h9-10H,2-8,14H2,1H3
InChIKeyMMQIPYKBZVOSDK-UHFFFAOYSA-N
XLogP2.70
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 65391882
1-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)cyclopropan-1-amine
CID 65466489
1-[3-(1,4-dimethylpiperazin-2-yl)-1,2,4-oxadiazol-5-yl]-3-methylcyclohexan-1-amine
CID 79663441
3-methyl-1-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 61289970
1-[3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65423270
1-(5-cyclopentyl-1,2,4-oxadiazol-3-yl)-3-methylcyclohexan-1-amine
CID 61352528
1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)-4-ethylcyclohexan-1-amine
CID 61295067
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-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)oxolan-3-amine
CID 65390894
1-[3-(oxan-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65332435
3-methyl-1-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 106847195

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine?
The IUPAC name of 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine (CID 64981922) is 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine.
What is the SMILES notation for 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine?
The canonical SMILES for 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine is CC1CCCC(N)(c2nc(C3CCC3)no2)C1.
What is the InChIKey of 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine?
The InChIKey is MMQIPYKBZVOSDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-9-4-3-7-13(14,8-9)12-15-11(16-17-12)10-5-2-6-10/h9-10H,2-8,14H2,1H3.
What are the key properties of 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine?
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine has a molecular weight of 235.33 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-3-methylcyclohexan-1-amine is sourced from PubChem (CID 64981922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).