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

C12H19N3O2 — CID 65331227

IUPAC3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1CCCC(c2nc(C3CCCO3)no2)C1
InChIInChI=1S/C12H19N3O2/c13-9-4-1-3-8(7-9)12-14-11(15-17-12)10-5-2-6-16-10/h8-10H,1-7,13H2
InChIKeyPQLZQUOERWVTAO-UHFFFAOYSA-N
MW237.30 g/mol
LogP1.91
Rot. Bonds2

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

3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (PubChem CID 65331227) has the molecular formula C12H19N3O2 and a molecular weight of 237.30 g/mol. Its IUPAC name is 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.

Molecular Properties

Compound Name3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
PubChem CID65331227
Molecular FormulaC12H19N3O2
Molecular Weight237.30 g/mol
Exact Mass237.15
IUPAC Name3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
SMILESNC1CCCC(c2nc(C3CCCO3)no2)C1
InChIInChI=1S/C12H19N3O2/c13-9-4-1-3-8(7-9)12-14-11(15-17-12)10-5-2-6-16-10/h8-10H,1-7,13H2
InChIKeyPQLZQUOERWVTAO-UHFFFAOYSA-N
XLogP1.91
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.30
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[3-(oxolan-2-yl)-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

3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79963704
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 64981970
[4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 79526334
4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65328340
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66031794
cis-(1S,3R)-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323443
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63043501
2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104826978
3-(azetidin-3-yl)-5-[(2R)-oxolan-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 131043141
3-(oxolan-2-yl)-5-(1,3-thiazolidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 120893816
2-(5-cyclooctyl-1,2,4-oxadiazol-3-yl)morpholine
CID 103972025
N-methyl-4-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 66266076

Frequently Asked Questions

What is the IUPAC name of 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The IUPAC name of 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine (CID 65331227) is 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine.
What is the SMILES notation for 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The canonical SMILES for 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is NC1CCCC(c2nc(C3CCCO3)no2)C1.
What is the InChIKey of 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
The InChIKey is PQLZQUOERWVTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O2/c13-9-4-1-3-8(7-9)12-14-11(15-17-12)10-5-2-6-16-10/h8-10H,1-7,13H2.
What are the key properties of 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine?
3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine has a molecular weight of 237.30 g/mol, XLogP of 1.91, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine is sourced from PubChem (CID 65331227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).