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

• ChemBase ID: 801644
• Molecular Formular: C12H19N3O3
• Molecular Mass: 253.29756
• Monoisotopic Mass: 253.14264148
• SMILES: C1CCN(CC1c1ocnn1)C(=O)OC(C)(C)C
• Canonical SMILES: O=C(N1CCCC(C1)c1nnco1)OC(C)(C)C
• InChI: InChI=1S/C12H19N3O3/c1-12(2,3)18-11(16)15-6-4-5-9(7-15)10-14-13-8-17-10/h8-9H,4-7H2,1-3H3
• InChIKey: HIUUFCZXJXLLEH-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
• IUPAC Traditional name: tert-butyl 3-(1,3,4-oxadiazol-2-yl)piperidine-1-carboxylate
• Synonyms: TERT-BUTYL 3-(1,3,4-OXADIAZOL-2-YL)PIPERIDINE-1-CARBOXYLATE

CALCULATED PROPERTIES

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.6204287
• LogD (pH = 7.4): 0.6204287
• Log P: 0.6204287
• Molar Refractivity: 66.697 cm^3
• Polarizability: 25.102758 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Product Information

• Purity: 98%