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

C13H21N3O — CID 79316096

IUPAC5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole
SMILESCCC1CCCC(c2noc(C3CNC3)n2)C1
InChIInChI=1S/C13H21N3O/c1-2-9-4-3-5-10(6-9)12-15-13(17-16-12)11-7-14-8-11/h9-11,14H,2-8H2,1H3
InChIKeyZNEKUKXVCVRJCX-UHFFFAOYSA-N
MW235.33 g/mol
LogP2.44
Rot. Bonds3

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

5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole (PubChem CID 79316096) has the molecular formula C13H21N3O and a molecular weight of 235.33 g/mol. Its IUPAC name is 5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole
PubChem CID79316096
Molecular FormulaC13H21N3O
Molecular Weight235.33 g/mol
Exact Mass235.17
IUPAC Name5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole
SMILESCCC1CCCC(c2noc(C3CNC3)n2)C1
InChIInChI=1S/C13H21N3O/c1-2-9-4-3-5-10(6-9)12-15-13(17-16-12)11-7-14-8-11/h9-11,14H,2-8H2,1H3
InChIKeyZNEKUKXVCVRJCX-UHFFFAOYSA-N
XLogP2.44
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.33
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(3-ethylcyclohexyl)-5-(3-methylpiperidin-2-yl)-1,2,4-oxadiazole
CID 107070952
5-(azetidin-3-yl)-3-cyclopropyl-1,2,4-oxadiazole;hydrochloride
CID 71778975
(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
3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
3-cyclobutyl-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818006
(1S)-1-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-2-methylpropan-1-amine
CID 104901665
5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
CID 65413684
3-cyclohexyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429862
2-[3-(3-ethylcyclohexyl)-1,2,4-oxadiazol-5-yl]-N-methylpropan-2-amine
CID 65403043
3-cyclooctyl-5-(4-ethylpiperidin-2-yl)-1,2,4-oxadiazole
CID 114429965
5-(azetidin-3-yl)-3-(8-methyl-8-azabicyclo[3.2.1]octan-3-yl)-1,2,4-oxadiazole
CID 112680499

Frequently Asked Questions

What is the IUPAC name of 5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole (CID 79316096) is 5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole is CCC1CCCC(c2noc(C3CNC3)n2)C1.
What is the InChIKey of 5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole?
The InChIKey is ZNEKUKXVCVRJCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O/c1-2-9-4-3-5-10(6-9)12-15-13(17-16-12)11-7-14-8-11/h9-11,14H,2-8H2,1H3.
What are the key properties of 5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole?
5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole has a molecular weight of 235.33 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(azetidin-3-yl)-3-(3-ethylcyclohexyl)-1,2,4-oxadiazole is sourced from PubChem (CID 79316096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).