3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole

C12H19N3O — CID 115032883

IUPAC3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCC1(c2noc(C3CCCNC3)n2)CCC1
InChIInChI=1S/C12H19N3O/c1-12(5-3-6-12)11-14-10(16-15-11)9-4-2-7-13-8-9/h9,13H,2-8H2,1H3
InChIKeyIMOAJBKOEIGIKS-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.98
Rot. Bonds2

About 3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole

3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole (PubChem CID 115032883) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole
PubChem CID115032883
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole
SMILESCC1(c2noc(C3CCCNC3)n2)CCC1
InChIInChI=1S/C12H19N3O/c1-12(5-3-6-12)11-14-10(16-15-11)9-4-2-7-13-8-9/h9,13H,2-8H2,1H3
InChIKeyIMOAJBKOEIGIKS-UHFFFAOYSA-N
XLogP1.98
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
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-(1-methylcyclopentyl)-5-piperidin-3-yl-1,2,4-oxadiazole
CID 115041080
3-(1-methoxycyclohexyl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912078
3-(4-ethoxyoxan-4-yl)-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104912084
3-(4,4-dimethylcyclohexyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911880
3-(3-methyloxolan-3-yl)-5-pyrrolidin-3-yl-1,2,4-oxadiazole
CID 115033888
3-(1-adamantyl)-5-[(3S)-piperidin-3-yl]-1,2,4-oxadiazole
CID 104911800
5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;hydrochloride
CID 156745989
3-cyclopentyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 93357413
5-cyclopropyl-3-(4-methylpiperidin-4-yl)-1,2,4-oxadiazole;iodomethane
CID 165104498
3,5-di(piperidin-3-yl)-1,2,4-oxadiazole
CID 115077690
3-cyclobutyl-5-[(3R)-piperidin-3-yl]-1,2,4-oxadiazole
CID 96818005
5-cyclopentyl-3-piperidin-3-yl-1,2,4-oxadiazole
CID 63024752

Frequently Asked Questions

What is the IUPAC name of 3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The IUPAC name of 3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole (CID 115032883) is 3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The canonical SMILES for 3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole is CC1(c2noc(C3CCCNC3)n2)CCC1.
What is the InChIKey of 3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
The InChIKey is IMOAJBKOEIGIKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(5-3-6-12)11-14-10(16-15-11)9-4-2-7-13-8-9/h9,13H,2-8H2,1H3.
What are the key properties of 3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole?
3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole has a molecular weight of 221.30 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-methylcyclobutyl)-5-piperidin-3-yl-1,2,4-oxadiazole is sourced from PubChem (CID 115032883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).