2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole

C12H19N3O — CID 84687002

IUPAC2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole
SMILESC1CC(c2nnc(CC3CCNCC3)o2)C1
InChIInChI=1S/C12H19N3O/c1-2-10(3-1)12-15-14-11(16-12)8-9-4-6-13-7-5-9/h9-10,13H,1-8H2
InChIKeyOCCQLYFSVBBAHT-UHFFFAOYSA-N
MW221.30 g/mol
LogP1.88
Rot. Bonds3

About 2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole

2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole (PubChem CID 84687002) has the molecular formula C12H19N3O and a molecular weight of 221.30 g/mol. Its IUPAC name is 2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole
PubChem CID84687002
Molecular FormulaC12H19N3O
Molecular Weight221.30 g/mol
Exact Mass221.15
IUPAC Name2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole
SMILESC1CC(c2nnc(CC3CCNCC3)o2)C1
InChIInChI=1S/C12H19N3O/c1-2-10(3-1)12-15-14-11(16-12)8-9-4-6-13-7-5-9/h9-10,13H,1-8H2
InChIKeyOCCQLYFSVBBAHT-UHFFFAOYSA-N
XLogP1.88
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 ≤ 51.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-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

2-methylsulfanyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole
CID 84679848
2-(chloromethyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 30060551
2-(azepan-3-yl)-5-ethyl-1,3,4-oxadiazole
CID 84666395
2-ethyl-5-[(3S)-pyrrolidin-3-yl]-1,3,4-oxadiazole
CID 124673400
2-(chloromethyl)-5-(cyclobutylmethyl)-1,3,4-oxadiazole
CID 103162193
(5-cyclopropyl-1,3,4-oxadiazol-2-yl)methanamine;hydrochloride
CID 75481650
2-[(5-cyclobutyl-1,3,4-oxadiazol-2-yl)methyl-(2-hydroxyethyl)amino]ethanol
CID 111487823
2-(3-chloropropyl)-5-cyclopentyl-1,3,4-oxadiazole
CID 43513428
2-methylsulfanyl-5-(pyrrolidin-3-ylmethyl)-1,3,4-oxadiazole
CID 116995899
1-(5-cyclopentyl-1,3,4-oxadiazol-2-yl)propan-2-amine
CID 84666403
2-cyclobutyl-5-[(4-cyclobutylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
CID 75463945
3-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)-N-propan-2-ylpropan-1-amine
CID 62138936

Frequently Asked Questions

What is the IUPAC name of 2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole (CID 84687002) is 2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole is C1CC(c2nnc(CC3CCNCC3)o2)C1.
What is the InChIKey of 2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is OCCQLYFSVBBAHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O/c1-2-10(3-1)12-15-14-11(16-12)8-9-4-6-13-7-5-9/h9-10,13H,1-8H2.
What are the key properties of 2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole?
2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 221.30 g/mol, XLogP of 1.88, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclobutyl-5-(piperidin-4-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 84687002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).