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

• ChemBase ID: 755653
• Molecular Formular: C14H18ClN3O3
• Molecular Mass: 311.76402
• Monoisotopic Mass: 311.10366913
• SMILES: n1c(noc1C)CN(Cc1c(c(cc(c1)Cl)OC)OC)C
• Canonical SMILES: COc1c(CN(Cc2noc(n2)C)C)cc(cc1OC)Cl
• InChI: InChI=1S/C14H18ClN3O3/c1-9-16-13(17-21-9)8-18(2)7-10-5-11(15)6-12(19-3)14(10)20-4/h5-6H,7-8H2,1-4H3
• InChIKey: MKUXXXOYXZUINO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.2277637
• LogD (pH = 7.4): 2.300848
• Log P: 2.301864
• Molar Refractivity: 81.512 cm^3
• Polarizability: 30.807579 Å^3
• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.5
• LOG S: -2.6
• Polar Surface Area: 60.62 Å^2
• Rotatable Bonds: 6