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

C12H19N3O — CID 115032776

IUPAC2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole
SMILESCC1(c2nnc(C3CCCCN3)o2)CCC1
InChIInChI=1S/C12H19N3O/c1-12(6-4-7-12)11-15-14-10(16-11)9-5-2-3-8-13-9/h9,13H,2-8H2,1H3
InChIKeyHLRBPTNAOBTARG-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.33
Rot. Bonds2

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

2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole (PubChem CID 115032776) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole
PubChem CID115032776
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole
SMILESCC1(c2nnc(C3CCCCN3)o2)CCC1
InChIInChI=1S/C12H19N3O/c1-12(6-4-7-12)11-15-14-10(16-11)9-5-2-3-8-13-9/h9,13H,2-8H2,1H3
InChIKeyHLRBPTNAOBTARG-UHFFFAOYSA-N
XLogP2.33
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 ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-methylcyclobutyl)-5-(piperidin-2-ylmethyl)-1,3,4-oxadiazole
CID 115040962
2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole
CID 96864783
2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride
CID 119031517
5-(1-methylcyclohexyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 106828730
2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 123914649
N-cyclopropyl-5-piperidin-2-yl-1,3,4-oxadiazol-2-amine
CID 110456032
2-propan-2-ylsulfanyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 4888633
2-(methoxymethyl)-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 66509664
5-(azocan-2-yl)-3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 114239832
[5-(1-methylcyclobutyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 115013269
2-penta-1,3-dien-3-yl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 91566589
3-(1-ethoxycyclopentyl)-5-piperidin-2-yl-1,2,4-oxadiazole
CID 116741549

Frequently Asked Questions

What is the IUPAC name of 2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole (CID 115032776) is 2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole is CC1(c2nnc(C3CCCCN3)o2)CCC1.
What is the InChIKey of 2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole?
The InChIKey is HLRBPTNAOBTARG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-12(6-4-7-12)11-15-14-10(16-11)9-5-2-3-8-13-9/h9,13H,2-8H2,1H3.
What are the key properties of 2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole?
2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole has a molecular weight of 221.30 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 115032776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).