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

C12H19N3O — CID 104879874

IUPAC5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESC1CCC(c2noc(CC3CCC3)n2)NC1
InChIInChI=1S/C12H19N3O/c1-2-7-13-10(6-1)12-14-11(16-15-12)8-9-4-3-5-9/h9-10,13H,1-8H2
InChIKeyWNIGAOMGKVKJPU-UHFFFAOYSA-N
MW221.30 g/mol
LogP2.23
Rot. Bonds3

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

5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 104879874) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID104879874
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESC1CCC(c2noc(CC3CCC3)n2)NC1
InChIInChI=1S/C12H19N3O/c1-2-7-13-10(6-1)12-14-11(16-15-12)8-9-4-3-5-9/h9-10,13H,1-8H2
InChIKeyWNIGAOMGKVKJPU-UHFFFAOYSA-N
XLogP2.23
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.30
LogP ≤ 52.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-piperidin-2-yl-5-(pyrrolidin-3-ylmethyl)-1,2,4-oxadiazole
CID 115077325
5-(oxolan-3-ylmethyl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115077336
(3S)-3-[5-(cycloheptylmethyl)-1,2,4-oxadiazol-3-yl]morpholine
CID 97345709
N,N-dimethyl-1-(3-piperidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 63189531
5-benzyl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 23000756
5-(cyclopropylmethoxymethyl)-3-[(2R)-piperidin-2-yl]-1,2,4-oxadiazole
CID 99727953
3-(azepan-2-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 84688673
5-[(2-fluorophenyl)methyl]-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916537
5-[(1-methylpiperidin-2-yl)methyl]-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 115078374
3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole
CID 104879869
3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride
CID 75484082
5-benzyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317448

Frequently Asked Questions

What is the IUPAC name of 5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole (CID 104879874) is 5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole is C1CCC(c2noc(CC3CCC3)n2)NC1.
What is the InChIKey of 5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is WNIGAOMGKVKJPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-7-13-10(6-1)12-14-11(16-15-12)8-9-4-3-5-9/h9-10,13H,1-8H2.
What are the key properties of 5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole?
5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 221.30 g/mol, XLogP of 2.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 104879874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).