3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine

C12H19N3O — CID 64981970

IUPAC3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESNC1CCCC(c2nc(C3CCC3)no2)C1
InChIInChI=1S/C12H19N3O/c13-10-6-2-5-9(7-10)12-14-11(15-16-12)8-3-1-4-8/h8-10H,1-7,13H2
InChIKeyBOZFJHVAYGMYNP-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.32
Rot. Bonds2

About 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine

3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (PubChem CID 64981970) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.

Molecular Properties

Compound Name3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
PubChem CID64981970
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
SMILESNC1CCCC(c2nc(C3CCC3)no2)C1
InChIInChI=1S/C12H19N3O/c13-10-6-2-5-9(7-10)12-14-11(15-16-12)8-3-1-4-8/h8-10H,1-7,13H2
InChIKeyBOZFJHVAYGMYNP-UHFFFAOYSA-N
XLogP2.32
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66031794
3-[3-(oxolan-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65331227
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine
CID 63043501
3-[3-(1,4-oxathian-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 79963704
2-[5-(3-aminocyclohexyl)-1,2,4-oxadiazol-3-yl]ethanol
CID 104826978
4-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine
CID 79215930
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 65390691
3-[3-(propan-2-ylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 65134666
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
3-(3-methyl-1,2,4-oxadiazol-5-yl)cyclopentan-1-amine
CID 66033169
4-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)cyclopent-2-en-1-amine
CID 80601371

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The IUPAC name of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine (CID 64981970) is 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine.
What is the SMILES notation for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The canonical SMILES for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is NC1CCCC(c2nc(C3CCC3)no2)C1.
What is the InChIKey of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
The InChIKey is BOZFJHVAYGMYNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c13-10-6-2-5-9(7-10)12-14-11(15-16-12)8-3-1-4-8/h8-10H,1-7,13H2.
What are the key properties of 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine?
3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine has a molecular weight of 221.30 g/mol, XLogP of 2.32, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)cyclohexan-1-amine is sourced from PubChem (CID 64981970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).