[(3-ethyl-1,2,4-oxadiazol-5-yl)methyl](methyl){[4-(pyridin-2-ylmethoxy)phenyl]methyl}amine

• ChemBase ID: 685060
• Molecular Formular: C19H22N4O2
• Molecular Mass: 338.40358
• Monoisotopic Mass: 338.17427596
• SMILES: n1c(onc1CC)CN(Cc1ccc(OCc2ncccc2)cc1)C
• Canonical SMILES: CCc1noc(n1)CN(Cc1ccc(cc1)OCc1ccccn1)C
• InChI: InChI=1S/C19H22N4O2/c1-3-18-21-19(25-22-18)13-23(2)12-15-7-9-17(10-8-15)24-14-16-6-4-5-11-20-16/h4-11H,3,12-14H2,1-2H3
• InChIKey: IZPWREURRPNOAY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(3-ethyl-1,2,4-oxadiazol-5-yl)methyl](methyl){[4-(pyridin-2-ylmethoxy)phenyl]methyl}amine
• IUPAC Traditional name: [(3-ethyl-1,2,4-oxadiazol-5-yl)methyl](methyl){[4-(pyridin-2-ylmethoxy)phenyl]methyl}amine
• Synonyms: 1-(3-ethyl-1,2,4-oxadiazol-5-yl)-N-methyl-N-[4-(pyridin-2-ylmethoxy)benzyl]methanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.2837598
• LogD (pH = 7.4): 3.1932874
• Log P: 3.2339141
• Molar Refractivity: 96.8044 cm^3
• Polarizability: 36.888294 Å^3
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.45
• LOG S: -1.45
• Polar Surface Area: 64.28 Å^2
• Rotatable Bonds: 8