4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)piperidine

• ChemBase ID: 258469
• Molecular Formular: C11H19N3O
• Molecular Mass: 209.28806
• Monoisotopic Mass: 209.15281224
• SMILES: o1c(nnc1C1CCNCC1)C(C)(C)C
• Canonical SMILES: CC(c1nnc(o1)C1CCNCC1)(C)C
• InChI: InChI=1S/C11H19N3O/c1-11(2,3)10-14-13-9(15-10)8-4-6-12-7-5-8/h8,12H,4-7H2,1-3H3
• InChIKey: CFMWSQWFSICMSM-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)piperidine
• IUPAC Traditional name: 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)piperidine
• Synonyms: 4-(5-tert-butyl-1,3,4-oxadiazol-2-yl)piperidine

Database IDs

• MDL Number: MFCD11610660
• PubChem SID: 164314379
• PubChem CID: 28344945

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -2.099374
• LogD (pH = 7.4): -1.2150584
• Log P: 1.1039293
• Molar Refractivity: 59.999 cm^3
• Polarizability: 22.656727 Å^3
• Polar Surface Area: 50.95 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Hydrophobicity(logP): 0.011

Product Information

• Purity: 95%