3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole

C16H27N3O — CID 107070952

IUPAC3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCC1CCCC(c2noc(C3NCCCC3C)n2)C1
InChIInChI=1S/C16H27N3O/c1-3-12-7-4-8-13(10-12)15-18-16(20-19-15)14-11(2)6-5-9-17-14/h11-14,17H,3-10H2,1-2H3
InChIKeyXDKYYHOGAVJWQK-UHFFFAOYSA-N
MW277.41 g/mol
LogP3.81
Rot. Bonds3

About 3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole

3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 107070952) has the molecular formula C16H27N3O and a molecular weight of 277.41 g/mol. Its IUPAC name is 3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID107070952
Molecular FormulaC16H27N3O
Molecular Weight277.41 g/mol
Exact Mass277.22
IUPAC Name3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCC1CCCC(c2noc(C3NCCCC3C)n2)C1
InChIInChI=1S/C16H27N3O/c1-3-12-7-4-8-13(10-12)15-18-16(20-19-15)14-11(2)6-5-9-17-14/h11-14,17H,3-10H2,1-2H3
InChIKeyXDKYYHOGAVJWQK-UHFFFAOYSA-N
XLogP3.81
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.41
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole
CID 79316096
3-(4,4-dimethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070948
3-cyclohexyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102780786
3-cyclooctyl-5-(3-methylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 102781089
5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
CID 65413684
3-(2-bicyclo[2.2.1]heptanyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107071027
3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429862
3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429965
3-(3-methylcyclohexyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900508
5-(3-methylpiperidin-2-yl)-3-(7-oxabicyclo[2.2.1]heptan-2-yl)-1,2,4-oxadiazole
CID 107070929
(1R)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]ethanamine
CID 104899805
3-(3-ethylcyclohexyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 65402843

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole (CID 107070952) is 3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole is CCC1CCCC(c2noc(C3NCCCC3C)n2)C1.
What is the InChIKey of 3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is XDKYYHOGAVJWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O/c1-3-12-7-4-8-13(10-12)15-18-16(20-19-15)14-11(2)6-5-9-17-14/h11-14,17H,3-10H2,1-2H3.
What are the key properties of 3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole?
3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 277.41 g/mol, XLogP of 3.81, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 107070952), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).