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

C15H27N3O2 — CID 106483677

IUPAC2-[[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCCC(CC)(OC)c1noc(CC2CCCCC2N)n1
InChIInChI=1S/C15H27N3O2/c1-4-15(5-2,19-3)14-17-13(20-18-14)10-11-8-6-7-9-12(11)16/h11-12H,4-10,16H2,1-3H3
InChIKeyZERPWJWQOSMGCI-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.79
Rot. Bonds6

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

2-[[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 106483677) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is 2-[[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID106483677
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name2-[[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCCC(CC)(OC)c1noc(CC2CCCCC2N)n1
InChIInChI=1S/C15H27N3O2/c1-4-15(5-2,19-3)14-17-13(20-18-14)10-11-8-6-7-9-12(11)16/h11-12H,4-10,16H2,1-3H3
InChIKeyZERPWJWQOSMGCI-UHFFFAOYSA-N
XLogP2.79
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-[[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine with MolForge

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Related Compounds

2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483607
[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methanamine
CID 116741094
2-[[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483653
1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 116741088
2-[[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-propylcyclohexan-1-amine
CID 106483514
2-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483360
2-[[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483663
2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483412
ethyl 2-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]acetate
CID 116744036
3-(3-methoxypentan-3-yl)-5-(2-pyrrolidin-3-ylethyl)-1,2,4-oxadiazole
CID 116741082
1-[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-one
CID 116780257
2-[[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]methyl]-N-methylcyclohexan-1-amine
CID 106483668

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 106483677) is 2-[[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is CCC(CC)(OC)c1noc(CC2CCCCC2N)n1.
What is the InChIKey of 2-[[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is ZERPWJWQOSMGCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-4-15(5-2,19-3)14-17-13(20-18-14)10-11-8-6-7-9-12(11)16/h11-12H,4-10,16H2,1-3H3.
What are the key properties of 2-[[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
2-[[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 281.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(3-methoxypentan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 106483677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).