3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole

C15H25N3O — CID 114429862

IUPAC3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCC1CCNC(c2nc(C3CCCCC3)no2)C1
InChIInChI=1S/C15H25N3O/c1-2-11-8-9-16-13(10-11)15-17-14(18-19-15)12-6-4-3-5-7-12/h11-13,16H,2-10H2,1H3
InChIKeySSKLJGRJVOOIGJ-UHFFFAOYSA-N
MW263.38 g/mol
LogP3.57
Rot. Bonds3

About 3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole

3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 114429862) has the molecular formula C15H25N3O and a molecular weight of 263.38 g/mol. Its IUPAC name is 3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID114429862
Molecular FormulaC15H25N3O
Molecular Weight263.38 g/mol
Exact Mass263.20
IUPAC Name3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCC1CCNC(c2nc(C3CCCCC3)no2)C1
InChIInChI=1S/C15H25N3O/c1-2-11-8-9-16-13(10-11)15-17-14(18-19-15)12-6-4-3-5-7-12/h11-13,16H,2-10H2,1H3
InChIKeySSKLJGRJVOOIGJ-UHFFFAOYSA-N
XLogP3.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.38
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429965
5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
CID 65413684
3-(cyclobutylmethyl)-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 112754183
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
5-(4-ethylpiperidin-2-yl)-3-(oxan-2-ylmethyl)-1,2,4-oxadiazole
CID 114429992
3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229
3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69188046
(3S,5R)-5-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)pyrrolidin-3-ol
CID 104971499
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-(4-ethylpiperidin-2-yl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 114429848
3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070952

Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole (CID 114429862) is 3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole is CCC1CCNC(c2nc(C3CCCCC3)no2)C1.
What is the InChIKey of 3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is SSKLJGRJVOOIGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25N3O/c1-2-11-8-9-16-13(10-11)15-17-14(18-19-15)12-6-4-3-5-7-12/h11-13,16H,2-10H2,1H3.
What are the key properties of 3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 263.38 g/mol, XLogP of 3.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 114429862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).