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

C17H29N3O — CID 114429965

IUPAC3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCC1CCNC(c2nc(C3CCCCCCC3)no2)C1
InChIInChI=1S/C17H29N3O/c1-2-13-10-11-18-15(12-13)17-19-16(20-21-17)14-8-6-4-3-5-7-9-14/h13-15,18H,2-12H2,1H3
InChIKeyYJTPKAZQCMUXIB-UHFFFAOYSA-N
MW291.44 g/mol
LogP4.35
Rot. Bonds3

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

3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole (PubChem CID 114429965) has the molecular formula C17H29N3O and a molecular weight of 291.44 g/mol. Its IUPAC name is 3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
PubChem CID114429965
Molecular FormulaC17H29N3O
Molecular Weight291.44 g/mol
Exact Mass291.23
IUPAC Name3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
SMILESCCC1CCNC(c2nc(C3CCCCCCC3)no2)C1
InChIInChI=1S/C17H29N3O/c1-2-13-10-11-18-15(12-13)17-19-16(20-21-17)14-8-6-4-3-5-7-9-14/h13-15,18H,2-12H2,1H3
InChIKeyYJTPKAZQCMUXIB-UHFFFAOYSA-N
XLogP4.35
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.44
LogP ≤ 54.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429862
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-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole (CID 114429965) is 3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole is CCC1CCNC(c2nc(C3CCCCCCC3)no2)C1.
What is the InChIKey of 3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
The InChIKey is YJTPKAZQCMUXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H29N3O/c1-2-13-10-11-18-15(12-13)17-19-16(20-21-17)14-8-6-4-3-5-7-9-14/h13-15,18H,2-12H2,1H3.
What are the key properties of 3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole?
3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole has a molecular weight of 291.44 g/mol, XLogP of 4.35, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 114429965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).