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

C12H21N3O — CID 62677702

IUPAC5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCCC(C)(C)c1nc(C2CCCCN2)no1
InChIInChI=1S/C12H21N3O/c1-4-12(2,3)11-14-10(15-16-11)9-7-5-6-8-13-9/h9,13H,4-8H2,1-3H3
InChIKeyIHMRQZOUMXHXBS-UHFFFAOYSA-N
MW223.32 g/mol
LogP2.57
Rot. Bonds3

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

5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole (PubChem CID 62677702) has the molecular formula C12H21N3O and a molecular weight of 223.32 g/mol. Its IUPAC name is 5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
PubChem CID62677702
Molecular FormulaC12H21N3O
Molecular Weight223.32 g/mol
Exact Mass223.17
IUPAC Name5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
SMILESCCC(C)(C)c1nc(C2CCCCN2)no1
InChIInChI=1S/C12H21N3O/c1-4-12(2,3)11-14-10(15-16-11)9-7-5-6-8-13-9/h9,13H,4-8H2,1-3H3
InChIKeyIHMRQZOUMXHXBS-UHFFFAOYSA-N
XLogP2.57
TPSA50.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.32
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-tert-butyl-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317586
5-methyl-3-piperidin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 54592757
5-pentan-3-yl-3-piperidin-2-yl-1,2,4-oxadiazole
CID 60916536
5-(2-phenylpropan-2-yl)-3-pyrrolidin-2-yl-1,2,4-oxadiazole
CID 63317311
3-(azepan-2-yl)-5-(ethoxymethyl)-1,2,4-oxadiazole;hydrochloride
CID 75484082
N,N-dimethyl-1-(3-piperidin-2-yl-1,2,4-oxadiazol-5-yl)methanamine
CID 63189531
5-(1-ethylpiperidin-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 115078014
3-(azepan-2-yl)-5-(2-methylpropyl)-1,2,4-oxadiazole
CID 84688673
3-piperidin-2-yl-5-(propoxymethyl)-1,2,4-oxadiazole
CID 104879869
5-(4-tert-butylthiadiazol-5-yl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 65207262
3-piperidin-2-yl-5-(4-propylthiadiazol-5-yl)-1,2,4-oxadiazole
CID 65207261
5-(cyclobutylmethyl)-3-piperidin-2-yl-1,2,4-oxadiazole
CID 104879874

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole (CID 62677702) is 5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole is CCC(C)(C)c1nc(C2CCCCN2)no1.
What is the InChIKey of 5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole?
The InChIKey is IHMRQZOUMXHXBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O/c1-4-12(2,3)11-14-10(15-16-11)9-7-5-6-8-13-9/h9,13H,4-8H2,1-3H3.
What are the key properties of 5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole?
5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole has a molecular weight of 223.32 g/mol, XLogP of 2.57, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylbutan-2-yl)-3-piperidin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 62677702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).