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

C16H27N3O — CID 65395750

IUPAC4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCC1CCC(c2noc(C3CCC(N)CC3)n2)CC1
InChIInChI=1S/C16H27N3O/c1-2-11-3-5-12(6-4-11)15-18-16(20-19-15)13-7-9-14(17)10-8-13/h11-14H,2-10,17H2,1H3
InChIKeyLAIIORMRHZFPKS-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.74
Rot. Bonds3

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

4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 65395750) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID65395750
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESCCC1CCC(c2noc(C3CCC(N)CC3)n2)CC1
InChIInChI=1S/C16H27N3O/c1-2-11-3-5-12(6-4-11)15-18-16(20-19-15)13-7-9-14(17)10-8-13/h11-14H,2-10,17H2,1H3
InChIKeyLAIIORMRHZFPKS-UHFFFAOYSA-N
XLogP3.74
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 ≤ 53.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]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

[4-[3-(4-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79525079
4-[3-(3-ethyl-1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 115385201
4-(3-ethyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 60812048
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66031794
5-piperidin-4-yl-3-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 65425392
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 65393257
4-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65131053
5-(4-aminocyclohexyl)-N,N-dimethyl-1,2,4-oxadiazol-3-amine
CID 115753285
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 64981970
(1S)-3-amino-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-ol
CID 107837001
1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methoxyethanamine
CID 81085874
(1S)-1-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-1-amine
CID 107144988

Frequently Asked Questions

What is the IUPAC name of 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 65395750) is 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is CCC1CCC(c2noc(C3CCC(N)CC3)n2)CC1.
What is the InChIKey of 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is LAIIORMRHZFPKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-2-11-3-5-12(6-4-11)15-18-16(20-19-15)13-7-9-14(17)10-8-13/h11-14H,2-10,17H2,1H3.
What are the key properties of 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 277.41 g/mol, XLogP of 3.74, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(4-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 65395750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).