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

C15H27N3O2 — CID 116704695

IUPAC[1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
SMILESCCOC(C)(C)c1noc(C2(CN)CCC(C)CC2)n1
InChIInChI=1S/C15H27N3O2/c1-5-19-14(3,4)12-17-13(20-18-12)15(10-16)8-6-11(2)7-9-15/h11H,5-10,16H2,1-4H3
InChIKeyQPTOMZSDJWTHMO-UHFFFAOYSA-N
MW281.40 g/mol
LogP2.75
Rot. Bonds5

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

[1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine (PubChem CID 116704695) has the molecular formula C15H27N3O2 and a molecular weight of 281.40 g/mol. Its IUPAC name is [1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine.

Molecular Properties

Compound Name[1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
PubChem CID116704695
Molecular FormulaC15H27N3O2
Molecular Weight281.40 g/mol
Exact Mass281.21
IUPAC Name[1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
SMILESCCOC(C)(C)c1noc(C2(CN)CCC(C)CC2)n1
InChIInChI=1S/C15H27N3O2/c1-5-19-14(3,4)12-17-13(20-18-12)15(10-16)8-6-11(2)7-9-15/h11H,5-10,16H2,1-4H3
InChIKeyQPTOMZSDJWTHMO-UHFFFAOYSA-N
XLogP2.75
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.40
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze [1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine 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-[3-(2-methoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 115442828
[1-[3-(2,2-dimethylpropyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 115442802
3-(2-ethoxypropan-2-yl)-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole
CID 116704565
ethyl 5-[1-(aminomethyl)-4-methylcyclohexyl]-1,2,4-oxadiazole-3-carboxylate
CID 112631754
[1-[3-(ethylsulfanylmethyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 113310598
[4-methyl-1-[3-(2-methylpropyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115442761
[1-[3-(1-methoxybutyl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 116702739
[1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]cycloheptyl]methanamine
CID 116740540
1-[3-(2-methoxybutan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexan-1-amine
CID 116740457
3-(2-ethoxypropan-2-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116704540
[4-methyl-1-[3-(pyridin-2-ylmethyl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 115442764
[1-[3-(1,4-dithian-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine
CID 115442832

Frequently Asked Questions

What is the IUPAC name of [1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine?
The IUPAC name of [1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine (CID 116704695) is [1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine.
What is the SMILES notation for [1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine?
The canonical SMILES for [1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine is CCOC(C)(C)c1noc(C2(CN)CCC(C)CC2)n1.
What is the InChIKey of [1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine?
The InChIKey is QPTOMZSDJWTHMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2/c1-5-19-14(3,4)12-17-13(20-18-12)15(10-16)8-6-11(2)7-9-15/h11H,5-10,16H2,1-4H3.
What are the key properties of [1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine?
[1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine has a molecular weight of 281.40 g/mol, XLogP of 2.75, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-[3-(2-ethoxypropan-2-yl)-1,2,4-oxadiazol-5-yl]-4-methylcyclohexyl]methanamine is sourced from PubChem (CID 116704695), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).