5-tert-butyl-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-methyl-1,3,4-oxadiazol-2-amine

• ChemBase ID: 598579
• Molecular Formular: C16H30N4O2
• Molecular Mass: 310.435
• Monoisotopic Mass: 310.23687622
• SMILES: c1(oc(nn1)C(C)(C)C)N(CC1CCN(CC1)CCOC)C
• Canonical SMILES: COCCN1CCC(CC1)CN(c1nnc(o1)C(C)(C)C)C
• InChI: InChI=1S/C16H30N4O2/c1-16(2,3)14-17-18-15(22-14)19(4)12-13-6-8-20(9-7-13)10-11-21-5/h13H,6-12H2,1-5H3
• InChIKey: ZEUSQQLKPZEBOT-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-tert-butyl-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-methyl-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-tert-butyl-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-methyl-1,3,4-oxadiazol-2-amine
• Synonyms: 5-tert-butyl-N-{[1-(2-methoxyethyl)piperidin-4-yl]methyl}-N-methyl-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): -1.0364486
• LogD (pH = 7.4): 0.6015329
• Log P: 2.1100118
• Molar Refractivity: 90.3412 cm^3
• Polarizability: 33.77814 Å^3
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.39
• LOG S: -2.46
• Polar Surface Area: 54.63 Å^2
• Rotatable Bonds: 7