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

• ChemBase ID: 860230
• Molecular Formular: C18H26N2O3
• Molecular Mass: 318.41064
• Monoisotopic Mass: 318.1943427
• SMILES: c1(c(onc1C)C)CN(Cc1cc(c(cc1)OC)COCC)C
• Canonical SMILES: CCOCc1cc(ccc1OC)CN(Cc1c(C)noc1C)C
• InChI: InChI=1S/C18H26N2O3/c1-6-22-12-16-9-15(7-8-18(16)21-5)10-20(4)11-17-13(2)19-23-14(17)3/h7-9H,6,10-12H2,1-5H3
• InChIKey: AZCZMRYFCBFVEV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.37697417
• LogD (pH = 7.4): 2.031023
• Log P: 2.409506
• Molar Refractivity: 93.1754 cm^3
• Polarizability: 35.201847 Å^3
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.82
• LOG S: -2.92
• Polar Surface Area: 47.73 Å^2
• Rotatable Bonds: 8