3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride

C11H18ClN3O — CID 69188046

IUPAC3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
SMILESC1CC[C@@H](c2nc(C3CCC3)no2)NC1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-2-7-12-9(6-1)11-13-10(14-15-11)8-4-3-5-8;/h8-9,12H,1-7H2;1H/t9-;/m0./s1
InChIKeyDYCYZEXSPKJXSA-FVGYRXGTSA-N
MW243.74 g/mol
LogP2.57
Rot. Bonds2

About 3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride

3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride (PubChem CID 69188046) has the molecular formula C11H18ClN3O and a molecular weight of 243.74 g/mol. Its IUPAC name is 3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
PubChem CID69188046
Molecular FormulaC11H18ClN3O
Molecular Weight243.74 g/mol
Exact Mass243.11
IUPAC Name3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride
SMILESC1CC[C@@H](c2nc(C3CCC3)no2)NC1.Cl
InChIInChI=1S/C11H17N3O.ClH/c1-2-7-12-9(6-1)11-13-10(14-15-11)8-4-3-5-8;/h8-9,12H,1-7H2;1H/t9-;/m0./s1
InChIKeyDYCYZEXSPKJXSA-FVGYRXGTSA-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

3-cyclobutyl-5-piperidin-2-yl-1,2,4-oxadiazole
CID 64982229
3-cyclopentyl-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 93357418
5-(azepan-2-yl)-3-(4-propan-2-ylcyclohexyl)-1,2,4-oxadiazole
CID 65424042
3-(3-methylcyclohexyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900508
3-(2-methylcyclopropyl)-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole
CID 104915001
5-cyclodecyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 123446995
3-(oxolan-3-yl)-5-[(2R)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 103832673
5-(azocan-2-yl)-3-(2,2-dimethylcyclopropyl)-1,2,4-oxadiazole
CID 114239832
5-(azepan-2-yl)-3-(3-ethylcyclopentyl)-1,2,4-oxadiazole
CID 65413684
5-piperidin-2-yl-1,2,4-oxadiazole-3-carbaldehyde
CID 115077969
3-(2-methylcyclopropyl)-5-[(2S)-pyrrolidin-2-yl]-1,2,4-oxadiazole
CID 104900655
3-(5-pyrrolidin-2-yl-1,2,4-oxadiazol-3-yl)thiolane 1,1-dioxide
CID 115335815

Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride?
The IUPAC name of 3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride (CID 69188046) is 3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride.
What is the SMILES notation for 3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride?
The canonical SMILES for 3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride is C1CC[C@@H](c2nc(C3CCC3)no2)NC1.Cl.
What is the InChIKey of 3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride?
The InChIKey is DYCYZEXSPKJXSA-FVGYRXGTSA-N. The full InChI is InChI=1S/C11H17N3O.ClH/c1-2-7-12-9(6-1)11-13-10(14-15-11)8-4-3-5-8;/h8-9,12H,1-7H2;1H/t9-;/m0./s1.
What are the key properties of 3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride?
3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-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 3-cyclobutyl-5-[(2S)-piperidin-2-yl]-1,2,4-oxadiazole;hydrochloride is sourced from PubChem (CID 69188046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).