1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine

C16H27N3O2 — CID 116742976

IUPAC1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
SMILESCCOC1(c2noc(C3(N)CCC3)n2)CCC(C)(C)CC1
InChIInChI=1S/C16H27N3O2/c1-4-20-16(10-8-14(2,3)9-11-16)12-18-13(21-19-12)15(17)6-5-7-15/h4-11,17H2,1-3H3
InChIKeyHQJWLNDHOQKMKU-UHFFFAOYSA-N
MW293.41 g/mol
LogP3.24
Rot. Bonds4

About 1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine

1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine (PubChem CID 116742976) has the molecular formula C16H27N3O2 and a molecular weight of 293.41 g/mol. Its IUPAC name is 1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine.

Molecular Properties

Compound Name1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
PubChem CID116742976
Molecular FormulaC16H27N3O2
Molecular Weight293.41 g/mol
Exact Mass293.21
IUPAC Name1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine
SMILESCCOC1(c2noc(C3(N)CCC3)n2)CCC(C)(C)CC1
InChIInChI=1S/C16H27N3O2/c1-4-20-16(10-8-14(2,3)9-11-16)12-18-13(21-19-12)15(17)6-5-7-15/h4-11,17H2,1-3H3
InChIKeyHQJWLNDHOQKMKU-UHFFFAOYSA-N
XLogP3.24
TPSA74.17 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-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-ethoxycyclohexyl)-1,2,4-oxadiazol-5-yl]oxolan-3-amine
CID 116741976
(1R)-1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]propan-1-amine
CID 104915562
3-(1-ethoxycyclopentyl)-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 116741484
2-[[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]methoxy]ethanamine
CID 116742983
3-(1-ethoxycyclopentyl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116741448
2-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 116742957
5-(azetidin-3-ylmethyl)-3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazole
CID 116742954
3-(4-ethoxyoxan-4-yl)-5-(2-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 116742298
2-[[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]sulfanyl]acetic acid
CID 116779644
4-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]butanenitrile
CID 106527106
1-cyclopropyl-1-[3-(1-ethoxycyclopentyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 116741417
3-(1-ethoxycyclohexyl)-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 116741864

Frequently Asked Questions

What is the IUPAC name of 1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The IUPAC name of 1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine (CID 116742976) is 1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine.
What is the SMILES notation for 1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The canonical SMILES for 1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine is CCOC1(c2noc(C3(N)CCC3)n2)CCC(C)(C)CC1.
What is the InChIKey of 1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
The InChIKey is HQJWLNDHOQKMKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O2/c1-4-20-16(10-8-14(2,3)9-11-16)12-18-13(21-19-12)15(17)6-5-7-15/h4-11,17H2,1-3H3.
What are the key properties of 1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine?
1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine has a molecular weight of 293.41 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(1-ethoxy-4,4-dimethylcyclohexyl)-1,2,4-oxadiazol-5-yl]cyclobutan-1-amine is sourced from PubChem (CID 116742976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).