1-(1-{5-[(2E)-but-2-en-1-yl]-1,3,4-oxadiazole-2-carbonyl}azetidin-3-yl)-2-methylpiperidine

• ChemBase ID: 659319
• Molecular Formular: C16H24N4O2
• Molecular Mass: 304.38736
• Monoisotopic Mass: 304.18992603
• SMILES: c1(nnc(o1)C/C=C/C)C(=O)N1CC(N2C(C)CCCC2)C1
• Canonical SMILES: C/C=C/Cc1nnc(o1)C(=O)N1CC(C1)N1CCCCC1C
• InChI: InChI=1S/C16H24N4O2/c1-3-4-8-14-17-18-15(22-14)16(21)19-10-13(11-19)20-9-6-5-7-12(20)2/h3-4,12-13H,5-11H2,1-2H3/b4-3+
• InChIKey: HFINTCINGLJWMW-ONEGZZNKSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1-(1-{5-[(2E)-but-2-en-1-yl]-1,3,4-oxadiazole-2-carbonyl}azetidin-3-yl)-2-methylpiperidine
• IUPAC Traditional name: 1-(1-{5-[(2E)-but-2-en-1-yl]-1,3,4-oxadiazole-2-carbonyl}azetidin-3-yl)-2-methylpiperidine
• Synonyms: 1-[1-({5-[(2E)-but-2-en-1-yl]-1,3,4-oxadiazol-2-yl}carbonyl)azetidin-3-yl]-2-methylpiperidine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): -0.68502235
• LogD (pH = 7.4): 0.8814582
• Log P: 1.1548669
• Molar Refractivity: 86.9999 cm^3
• Polarizability: 32.07178 Å^3
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.6
• LOG S: -2.79
• Polar Surface Area: 62.47 Å^2
• Rotatable Bonds: 4