2-(4-methoxyphenoxymethyl)-N-methyl-N-[(3-methylpyridin-4-yl)methyl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 488172
• Molecular Formular: C20H21N3O4
• Molecular Mass: 367.39844
• Monoisotopic Mass: 367.15320617
• SMILES: c1(nc(oc1)COc1ccc(cc1)OC)C(=O)N(Cc1c(cncc1)C)C
• Canonical SMILES: COc1ccc(cc1)OCc1occ(n1)C(=O)N(Cc1ccncc1C)C
• InChI: InChI=1S/C20H21N3O4/c1-14-10-21-9-8-15(14)11-23(2)20(24)18-12-27-19(22-18)13-26-17-6-4-16(25-3)5-7-17/h4-10,12H,11,13H2,1-3H3
• InChIKey: RIIVKIVLSPWQLS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(4-methoxyphenoxymethyl)-N-methyl-N-[(3-methylpyridin-4-yl)methyl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 2-(4-methoxyphenoxymethyl)-N-methyl-N-[(3-methylpyridin-4-yl)methyl]-1,3-oxazole-4-carboxamide
• Synonyms: 2-[(4-methoxyphenoxy)methyl]-N-methyl-N-[(3-methyl-4-pyridinyl)methyl]-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.8259053
• LogD (pH = 7.4): 2.0961428
• Log P: 2.101499
• Molar Refractivity: 99.6301 cm^3
• Polarizability: 37.94171 Å^3
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.6
• LOG S: -2.56
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 6