[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl][(5-ethylpyridin-2-yl)methyl]methylamine

• ChemBase ID: 431995
• Molecular Formular: C19H22N4O
• Molecular Mass: 322.40418
• Monoisotopic Mass: 322.17936134
• SMILES: n1c(onc1Cc1ccccc1)CN(Cc1ncc(cc1)CC)C
• Canonical SMILES: CCc1ccc(nc1)CN(Cc1onc(n1)Cc1ccccc1)C
• InChI: InChI=1S/C19H22N4O/c1-3-15-9-10-17(20-12-15)13-23(2)14-19-21-18(22-24-19)11-16-7-5-4-6-8-16/h4-10,12H,3,11,13-14H2,1-2H3
• InChIKey: XKFLPUFEGBVOFF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-benzyl-1,2,4-oxadiazol-5-yl)methyl][(5-ethylpyridin-2-yl)methyl]methylamine
• IUPAC Traditional name: [(3-benzyl-1,2,4-oxadiazol-5-yl)methyl][(5-ethylpyridin-2-yl)methyl]methylamine
• Synonyms: 1-(3-benzyl-1,2,4-oxadiazol-5-yl)-N-[(5-ethyl-2-pyridinyl)methyl]-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 3.5769246
• LogD (pH = 7.4): 3.7780802
• Log P: 3.7813509
• Molar Refractivity: 95.4658 cm^3
• Polarizability: 36.13844 Å^3
• Polar Surface Area: 55.05 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: 2.46
• LOG S: -2.98
• Polar Surface Area: 55.05 Å^2
• Rotatable Bonds: 6