[(2,3-dimethoxyphenyl)methyl](methyl)[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amine

• ChemBase ID: 354764
• Molecular Formular: C14H19N3O3
• Molecular Mass: 277.31896
• Monoisotopic Mass: 277.14264148
• SMILES: c1(nnc(o1)C)CN(Cc1c(c(OC)ccc1)OC)C
• Canonical SMILES: COc1c(cccc1OC)CN(Cc1nnc(o1)C)C
• InChI: InChI=1S/C14H19N3O3/c1-10-15-16-13(20-10)9-17(2)8-11-6-5-7-12(18-3)14(11)19-4/h5-7H,8-9H2,1-4H3
• InChIKey: BFRVNIISANBXAE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: [(2,3-dimethoxyphenyl)methyl](methyl)[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amine
• IUPAC Traditional name: [(2,3-dimethoxyphenyl)methyl](methyl)[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amine
• Synonyms: (2,3-dimethoxybenzyl)methyl[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]amine

CALCULATED PROPERTIES

供应商提供(Chembridge)

• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 6
• H Acceptors: 6
• H Donor: 0
• Log P: 1.58
• LOG S: -1.56

JChem

• Rotatable Bonds: 6
• Lipinski's Rule of Five: true
• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 0.04924753
• LogD (pH = 7.4): 0.4915323
• Log P: 0.5014441
• Molar Refractivity: 76.833 cm^3
• Polarizability: 28.89784 Å^3
• Polar Surface Area: 60.62 Å^2