2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride

C11H18ClN3O — CID 119031517

IUPAC2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride
SMILESC1CCC(c2nnc(C3CCC3)o2)NC1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-2-7-12-9(6-1)11-14-13-10(15-11)8-4-3-5-8;/h8-9,12H,1-7H2;1H
InChIKeyRGUMYJMNKNDCOQ-UHFFFAOYSA-N
MW243.74 g/mol
LogP2.57
Rot. Bonds2

About 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride

2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride (PubChem CID 119031517) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride
PubChem CID119031517
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride
SMILESC1CCC(c2nnc(C3CCC3)o2)NC1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-2-7-12-9(6-1)11-14-13-10(15-11)8-4-3-5-8;/h8-9,12H,1-7H2;1H
InChIKeyRGUMYJMNKNDCOQ-UHFFFAOYSA-N
XLogP2.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.74
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-cyclononyl-5-pyrrolidin-2-yl-1,3,4-oxadiazole
CID 123914649
2-tert-butyl-5-[(2S)-piperidin-2-yl]-1,3,4-oxadiazole
CID 96864783
N-cyclopropyl-5-piperidin-2-yl-1,3,4-oxadiazol-2-amine
CID 110456032
3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
CID 69188046
2-(1-ethylsulfonylpiperidin-4-yl)-5-[(2R)-pyrrolidin-2-yl]-1,3,4-oxadiazole
CID 124980247
2-(1-methylcyclobutyl)-5-piperidin-2-yl-1,3,4-oxadiazole
CID 115032776
3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229
2-chloro-5-cyclohexyl-1,3,4-oxadiazole
CID 82281079
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
2,2-difluoro-1-[2-(5-piperidin-2-yl-1,3,4-oxadiazol-2-yl)piperidin-1-yl]ethanone
CID 175662572
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride?
The IUPAC name of 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride (CID 119031517) is 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride.
What is the SMILES notation for 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride?
The canonical SMILES for 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride is C1CCC(c2nnc(C3CCC3)o2)NC1.Cl.
What is the InChIKey of 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride?
The InChIKey is RGUMYJMNKNDCOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c1-2-7-12-9(6-1)11-14-13-10(15-11)8-4-3-5-8;/h8-9,12H,1-7H2;1H.
What are the key properties of 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride?
2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride has a molecular weight of 243.74 g/mol, XLogP of 2.57, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-piperidin-2-yl-1,3,4-oxadiazole;hydrochloride is sourced from PubChem (CID 119031517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).