{[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)[1-(1,2-oxazol-3-yl)ethyl]amine

• ChemBase ID: 447655
• Molecular Formular: C20H25N3O4
• Molecular Mass: 371.4302
• Monoisotopic Mass: 371.1845063
• SMILES: c1(nc(c(o1)C)CN(C(c1nocc1)C)C)c1c(c(c(cc1)OC)C)OC
• Canonical SMILES: COc1c(ccc(c1C)OC)c1nc(c(o1)C)CN(C(c1nocc1)C)C
• InChI: InChI=1S/C20H25N3O4/c1-12-18(24-5)8-7-15(19(12)25-6)20-21-17(14(3)27-20)11-23(4)13(2)16-9-10-26-22-16/h7-10,13H,11H2,1-6H3
• InChIKey: GVHHRIPFWGKNPS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)[1-(1,2-oxazol-3-yl)ethyl]amine
• IUPAC Traditional name: {[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}(methyl)[1-(1,2-oxazol-3-yl)ethyl]amine
• Synonyms: N-{[2-(2,4-dimethoxy-3-methylphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}-1-(3-isoxazolyl)-N-methylethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.5817285
• LogD (pH = 7.4): 3.0872889
• Log P: 3.099671
• Molar Refractivity: 113.0331 cm^3
• Polarizability: 39.62389 Å^3
• Polar Surface Area: 73.76 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 7
• H Donor: 0
• Log P: 2.05
• LOG S: -2.44
• Polar Surface Area: 73.76 Å^2
• Rotatable Bonds: 5