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

C13H23N3O — CID 55034717

IUPAC[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCCCCC1CCC(c2nnc(CN)o2)CC1
InChIInChI=1S/C13H23N3O/c1-2-3-4-10-5-7-11(8-6-10)13-16-15-12(9-14)17-13/h10-11H,2-9,14H2,1H3
InChIKeyAAQYBYZUFGSOQK-UHFFFAOYSA-N
MW237.35 g/mol
LogP2.99
Rot. Bonds5

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

[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methanamine (PubChem CID 55034717) has the molecular formula C13H23N3O and a molecular weight of 237.35 g/mol. Its IUPAC name is [5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methanamine.

Molecular Properties

Compound Name[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methanamine
PubChem CID55034717
Molecular FormulaC13H23N3O
Molecular Weight237.35 g/mol
Exact Mass237.18
IUPAC Name[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methanamine
SMILESCCCCC1CCC(c2nnc(CN)o2)CC1
InChIInChI=1S/C13H23N3O/c1-2-3-4-10-5-7-11(8-6-10)13-16-15-12(9-14)17-13/h10-11H,2-9,14H2,1H3
InChIKeyAAQYBYZUFGSOQK-UHFFFAOYSA-N
XLogP2.99
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.35
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methanamine?
The IUPAC name of [5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methanamine (CID 55034717) is [5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methanamine.
What is the SMILES notation for [5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methanamine?
The canonical SMILES for [5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methanamine is CCCCC1CCC(c2nnc(CN)o2)CC1.
What is the InChIKey of [5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methanamine?
The InChIKey is AAQYBYZUFGSOQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O/c1-2-3-4-10-5-7-11(8-6-10)13-16-15-12(9-14)17-13/h10-11H,2-9,14H2,1H3.
What are the key properties of [5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methanamine?
[5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methanamine has a molecular weight of 237.35 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-butylcyclohexyl)-1,3,4-oxadiazol-2-yl]methanamine is sourced from PubChem (CID 55034717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).