N-[(3,4-dimethoxyphenyl)methyl]-5-(3,4-dimethylphenoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide

• ChemBase ID: 520094
• Molecular Formular: C23H26N2O5
• Molecular Mass: 410.46294
• Monoisotopic Mass: 410.18417194
• SMILES: c1(noc(c1)COc1cc(c(cc1)C)C)C(=O)N(Cc1cc(c(cc1)OC)OC)C
• Canonical SMILES: COc1cc(ccc1OC)CN(C(=O)c1noc(c1)COc1ccc(c(c1)C)C)C
• InChI: InChI=1S/C23H26N2O5/c1-15-6-8-18(10-16(15)2)29-14-19-12-20(24-30-19)23(26)25(3)13-17-7-9-21(27-4)22(11-17)28-5/h6-12H,13-14H2,1-5H3
• InChIKey: RKIQTSUCYFQOIW-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(3,4-dimethoxyphenyl)methyl]-5-(3,4-dimethylphenoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-[(3,4-dimethoxyphenyl)methyl]-5-(3,4-dimethylphenoxymethyl)-N-methyl-1,2-oxazole-3-carboxamide
• Synonyms: N-(3,4-dimethoxybenzyl)-5-[(3,4-dimethylphenoxy)methyl]-N-methyl-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 3.9444103
• LogD (pH = 7.4): 3.9444103
• Log P: 3.9444103
• Molar Refractivity: 114.5745 cm^3
• Polarizability: 43.120064 Å^3
• Polar Surface Area: 74.03 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 3.58
• LOG S: -4.42
• Polar Surface Area: 74.03 Å^2
• Rotatable Bonds: 6