5-tert-butyl-N-methyl-N-[2-(pyridin-2-yl)ethyl]-1,3,4-oxadiazol-2-amine

• ChemBase ID: 506126
• Molecular Formular: C14H20N4O
• Molecular Mass: 260.3348
• Monoisotopic Mass: 260.16371128
• SMILES: o1c(nnc1C(C)(C)C)N(CCc1ncccc1)C
• Canonical SMILES: CN(c1nnc(o1)C(C)(C)C)CCc1ccccn1
• InChI: InChI=1S/C14H20N4O/c1-14(2,3)12-16-17-13(19-12)18(4)10-8-11-7-5-6-9-15-11/h5-7,9H,8,10H2,1-4H3
• InChIKey: NDZRLOGJVSRYSO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-tert-butyl-N-methyl-N-[2-(pyridin-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
• IUPAC Traditional name: 5-tert-butyl-N-methyl-N-[2-(pyridin-2-yl)ethyl]-1,3,4-oxadiazol-2-amine
• Synonyms: 5-tert-butyl-N-methyl-N-(2-pyridin-2-ylethyl)-1,3,4-oxadiazol-2-amine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.2490273
• LogD (pH = 7.4): 2.4906063
• Log P: 2.494866
• Molar Refractivity: 75.6615 cm^3
• Polarizability: 28.009384 Å^3
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 1.48
• LOG S: -2.06
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 5