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

C16H27N3O — CID 106483412

IUPAC2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCC1CCC(c2noc(CC3CCCCC3N)n2)CC1
InChIInChI=1S/C16H27N3O/c1-11-6-8-12(9-7-11)16-18-15(20-19-16)10-13-4-2-3-5-14(13)17/h11-14H,2-10,17H2,1H3
InChIKeyHMIIATKZBYCVBG-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.42
Rot. Bonds3

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

2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (PubChem CID 106483412) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.

Molecular Properties

Compound Name2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
PubChem CID106483412
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
SMILESCC1CCC(c2noc(CC3CCCCC3N)n2)CC1
InChIInChI=1S/C16H27N3O/c1-11-6-8-12(9-7-11)16-18-15(20-19-16)10-13-4-2-3-5-14(13)17/h11-14H,2-10,17H2,1H3
InChIKeyHMIIATKZBYCVBG-UHFFFAOYSA-N
XLogP3.42
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 ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

2-[[3-(oxolan-3-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483485
2-[[3-(3-methyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483591
3-(4-methylcyclohexyl)-5-(piperidin-3-ylmethyl)-1,2,4-oxadiazole
CID 62690301
2-methyl-3-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 81072757
2-[[3-(methylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483360
4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]butan-2-amine
CID 55202626
2-[[3-(trifluoromethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483607
2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]aniline
CID 62535937
2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]butan-1-amine
CID 81072758
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 65390303
2-[[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483653
2-[[3-(1-methylsulfonylethyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine
CID 106483639

Frequently Asked Questions

What is the IUPAC name of 2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The IUPAC name of 2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine (CID 106483412) is 2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine.
What is the SMILES notation for 2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The canonical SMILES for 2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is CC1CCC(c2noc(CC3CCCCC3N)n2)CC1.
What is the InChIKey of 2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
The InChIKey is HMIIATKZBYCVBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-11-6-8-12(9-7-11)16-18-15(20-19-16)10-13-4-2-3-5-14(13)17/h11-14H,2-10,17H2,1H3.
What are the key properties of 2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine?
2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexan-1-amine is sourced from PubChem (CID 106483412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).