3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole

C12H19N3O — CID 62216208

IUPAC3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
SMILESC1CCC(CCc2nc(C3CC3)no2)NC1
InChIInChI=1S/C12H19N3O/c1-2-8-13-10(3-1)6-7-11-14-12(15-16-11)9-4-5-9/h9-10,13H,1-8H2
InChIKeyVKIFGQHRTGLHAW-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.02
Rot. Bonds4

About 3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole

3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole (PubChem CID 62216208) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
PubChem CID62216208
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
SMILESC1CCC(CCc2nc(C3CC3)no2)NC1
InChIInChI=1S/C12H19N3O/c1-2-8-13-10(3-1)6-7-11-14-12(15-16-11)9-4-5-9/h9-10,13H,1-8H2
InChIKeyVKIFGQHRTGLHAW-UHFFFAOYSA-N
XLogP2.02
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(2-methylcyclopropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 65421015
3-(1,4-diazabicyclo[2.2.2]octan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 79959987
3-cyclopentyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 61371735
3-cycloheptyl-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65389898
3-tert-butyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 62216210
3-(5,6-dimethyl-1,4-dithian-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 103344468
5-(2-piperidin-2-ylethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 55049135
3-cycloheptyl-5-(2-piperidin-4-ylethyl)-1,2,4-oxadiazole
CID 65389519
3-(1-methoxy-2-methylpropyl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 116702796
3-(4-tert-butylcyclohexyl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 65401812
3-(2-methoxybutan-2-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 116740295
3-(6-methoxypyridazin-3-yl)-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole
CID 103372842

Frequently Asked Questions

What is the IUPAC name of 3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole?
The IUPAC name of 3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole (CID 62216208) is 3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole is C1CCC(CCc2nc(C3CC3)no2)NC1.
What is the InChIKey of 3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole?
The InChIKey is VKIFGQHRTGLHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-8-13-10(3-1)6-7-11-14-12(15-16-11)9-4-5-9/h9-10,13H,1-8H2.
What are the key properties of 3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole?
3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole has a molecular weight of 221.30 g/mol, XLogP of 2.02, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclopropyl-5-(2-piperidin-2-ylethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62216208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).