N-benzyl-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine

• ChemBase ID: 596402
• Molecular Formular: C17H18N4O2
• Molecular Mass: 310.35042
• Monoisotopic Mass: 310.14297584
• SMILES: n1c(onc1COC)c1cnc(N(Cc2ccccc2)C)cc1
• Canonical SMILES: COCc1noc(n1)c1ccc(nc1)N(Cc1ccccc1)C
• InChI: InChI=1S/C17H18N4O2/c1-21(11-13-6-4-3-5-7-13)16-9-8-14(10-18-16)17-19-15(12-22-2)20-23-17/h3-10H,11-12H2,1-2H3
• InChIKey: QNHJGRUJGXLDOP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-benzyl-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine
• IUPAC Traditional name: N-benzyl-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methylpyridin-2-amine
• Synonyms: N-benzyl-5-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]-N-methyl-2-pyridinamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.3663752
• LogD (pH = 7.4): 3.4471242
• Log P: 3.4482625
• Molar Refractivity: 100.0513 cm^3
• Polarizability: 33.60423 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.5
• LOG S: -3.33
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 5