[4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

C16H27N3O — CID 79525079

IUPAC[4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCC1CCC(c2noc(C3CCC(CN)CC3)n2)CC1
InChIInChI=1S/C16H27N3O/c1-11-2-6-13(7-3-11)15-18-16(20-19-15)14-8-4-12(10-17)5-9-14/h11-14H,2-10,17H2,1H3
InChIKeyODNFEECKJVUYID-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.60
Rot. Bonds3

About [4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine

[4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (PubChem CID 79525079) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is [4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.

Molecular Properties

Compound Name[4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
PubChem CID79525079
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name[4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
SMILESCC1CCC(c2noc(C3CCC(CN)CC3)n2)CC1
InChIInChI=1S/C16H27N3O/c1-11-2-6-13(7-3-11)15-18-16(20-19-15)14-8-4-12(10-17)5-9-14/h11-14H,2-10,17H2,1H3
InChIKeyODNFEECKJVUYID-UHFFFAOYSA-N
XLogP3.60
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze [4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 104963876
4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65395750
4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-one
CID 63345383
[4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526334
5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 65425392
[4-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 56770489
[4-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 104963886
[4-[3-(1-methoxy-2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 104963887
[(2R,5S)-5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)oxolan-2-yl]methanamine
CID 119031140
2-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072757
[4-[3-(3-methylfuran-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 104797956
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66031794

Frequently Asked Questions

What is the IUPAC name of [4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The IUPAC name of [4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine (CID 79525079) is [4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine.
What is the SMILES notation for [4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The canonical SMILES for [4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is CC1CCC(c2noc(C3CCC(CN)CC3)n2)CC1.
What is the InChIKey of [4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
The InChIKey is ODNFEECKJVUYID-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11-2-6-13(7-3-11)15-18-16(20-19-15)14-8-4-12(10-17)5-9-14/h11-14H,2-10,17H2,1H3.
What are the key properties of [4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine?
[4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine has a molecular weight of 277.41 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine is sourced from PubChem (CID 79525079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).