1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine

C14H25N3O2 — CID 116741786

IUPAC1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1nc(C2(OC)CCCCC2)no1
InChIInChI=1S/C14H25N3O2/c1-4-10(2)11(15)12-16-13(17-19-12)14(18-3)8-6-5-7-9-14/h10-11H,4-9,15H2,1-3H3
InChIKeyWKRYSDDKTFCXGY-UHFFFAOYSA-N
MW267.37 g/mol
LogP2.92
Rot. Bonds5

About 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine

1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine (PubChem CID 116741786) has the molecular formula C14H25N3O2 and a molecular weight of 267.37 g/mol. Its IUPAC name is 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine.

Molecular Properties

Compound Name1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
PubChem CID116741786
Molecular FormulaC14H25N3O2
Molecular Weight267.37 g/mol
Exact Mass267.19
IUPAC Name1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
SMILESCCC(C)C(N)c1nc(C2(OC)CCCCC2)no1
InChIInChI=1S/C14H25N3O2/c1-4-10(2)11(15)12-16-13(17-19-12)14(18-3)8-6-5-7-9-14/h10-11H,4-9,15H2,1-3H3
InChIKeyWKRYSDDKTFCXGY-UHFFFAOYSA-N
XLogP2.92
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.37
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-amino-1-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]propan-2-ol
CID 116701498
(1S,2S)-2-methyl-1-[3-(1-methylcyclopropyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 104900251
(1S)-1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901859
1-[3-(1-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 116741836
2-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpentan-3-amine
CID 116781227
2-[3-(1-methoxycyclobutyl)-1,2,4-oxadiazol-5-yl]butan-1-amine
CID 116701374
6-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]heptan-2-amine
CID 104609629
3-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]pentan-2-one
CID 116780307
(1S)-1-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]-2,2-dimethylpropan-1-amine
CID 104899668
(1S)-1-[3-(1-ethoxy-3-methylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine
CID 104900379
(1R)-1-[3-(1-methoxycycloheptyl)-1,2,4-oxadiazol-5-yl]-3-methylsulfanylpropan-1-amine
CID 104909661
N-ethyl-3-[3-(1-methoxycyclopentyl)-1,2,4-oxadiazol-5-yl]pentan-2-amine
CID 104612040

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
The IUPAC name of 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine (CID 116741786) is 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine.
What is the SMILES notation for 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
The canonical SMILES for 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine is CCC(C)C(N)c1nc(C2(OC)CCCCC2)no1.
What is the InChIKey of 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
The InChIKey is WKRYSDDKTFCXGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2/c1-4-10(2)11(15)12-16-13(17-19-12)14(18-3)8-6-5-7-9-14/h10-11H,4-9,15H2,1-3H3.
What are the key properties of 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine?
1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine has a molecular weight of 267.37 g/mol, XLogP of 2.92, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-methoxycyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylbutan-1-amine is sourced from PubChem (CID 116741786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).