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

C12H19N3O — CID 63126024

IUPAC3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(C3CC3)no2)CCNCC1
InChIInChI=1S/C12H19N3O/c1-2-12(5-7-13-8-6-12)11-14-10(15-16-11)9-3-4-9/h9,13H,2-8H2,1H3
InChIKeyYLLIKDBLUNOQIQ-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.98
Rot. Bonds3

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

3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole (PubChem CID 63126024) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole
PubChem CID63126024
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole
SMILESCCC1(c2nc(C3CC3)no2)CCNCC1
InChIInChI=1S/C12H19N3O/c1-2-12(5-7-13-8-6-12)11-14-10(15-16-11)9-3-4-9/h9,13H,2-8H2,1H3
InChIKeyYLLIKDBLUNOQIQ-UHFFFAOYSA-N
XLogP1.98
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-cyclopentyl-5-(3-ethylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 63145228
3-(oxan-4-yl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 65329250
3-(4-ethylcyclohexyl)-5-(3-propylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 65393679
5-[4-(2-methoxyethyl)piperidin-4-yl]-3-(oxan-4-yl)-1,2,4-oxadiazole
CID 138039510
3-(3-methylcyclohexyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63125853
5-(1-methylcyclopropyl)-3-piperidin-4-yl-1,2,4-oxadiazole
CID 115025293
3-cyclooctyl-5-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole
CID 80601729
[1-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)cyclobutyl]methanamine
CID 115446020
4-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)piperidin-4-ol
CID 106950067
3-cyclobutyl-5-(2-ethylpyrrolidin-2-yl)-1,2,4-oxadiazole
CID 83070596
3-(4,4-difluorocyclohexyl)-5-(4-propan-2-ylpiperidin-4-yl)-1,2,4-oxadiazole
CID 176759395
2-[5-(1-ethylcyclopentyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 103971782

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole (CID 63126024) is 3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole is CCC1(c2nc(C3CC3)no2)CCNCC1.
What is the InChIKey of 3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole?
The InChIKey is YLLIKDBLUNOQIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-12(5-7-13-8-6-12)11-14-10(15-16-11)9-3-4-9/h9,13H,2-8H2,1H3.
What are the key properties of 3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole?
3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole has a molecular weight of 221.30 g/mol, XLogP of 1.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(4-ethylpiperidin-4-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 63126024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).