{[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}[(dimethyl-1,2-oxazol-4-yl)methyl]methylamine

• ChemBase ID: 405776
• Molecular Formular: C20H25N3O4
• Molecular Mass: 371.4302
• Monoisotopic Mass: 371.1845063
• SMILES: c1(nc(c(o1)C)CN(Cc1c(onc1C)C)C)c1c(ccc(c1)OC)OC
• Canonical SMILES: COc1ccc(c(c1)c1oc(c(n1)CN(Cc1c(C)noc1C)C)C)OC
• InChI: InChI=1S/C20H25N3O4/c1-12-17(13(2)27-22-12)10-23(4)11-18-14(3)26-20(21-18)16-9-15(24-5)7-8-19(16)25-6/h7-9H,10-11H2,1-6H3
• InChIKey: ASTQAJRBHMKHDB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: {[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}[(dimethyl-1,2-oxazol-4-yl)methyl]methylamine
• IUPAC Traditional name: {[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methyl}[(dimethyl-1,2-oxazol-4-yl)methyl]methylamine
• Synonyms: 1-[2-(2,5-dimethoxyphenyl)-5-methyl-1,3-oxazol-4-yl]-N-[(3,5-dimethylisoxazol-4-yl)methyl]-N-methylmethanamine

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.1750969
• LogD (pH = 7.4): 2.2087247
• Log P: 2.266945
• Molar Refractivity: 113.7614 cm^3
• Polarizability: 39.545284 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: 3.18
• LOG S: -3.62
• Polar Surface Area: 73.76 Å^2
• Rotatable Bonds: 7