5-(2-methoxyphenoxymethyl)-N-methyl-N-[1-(pyridin-3-yl)ethyl]-1,2-oxazole-3-carboxamide

• ChemBase ID: 490887
• Molecular Formular: C20H21N3O4
• Molecular Mass: 367.39844
• Monoisotopic Mass: 367.15320617
• SMILES: c1(C(=O)N(C(c2cnccc2)C)C)noc(c1)COc1c(OC)cccc1
• Canonical SMILES: COc1ccccc1OCc1onc(c1)C(=O)N(C(c1cccnc1)C)C
• InChI: InChI=1S/C20H21N3O4/c1-14(15-7-6-10-21-12-15)23(2)20(24)17-11-16(27-22-17)13-26-19-9-5-4-8-18(19)25-3/h4-12,14H,13H2,1-3H3
• InChIKey: ATZYPQGGJYENMO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(2-methoxyphenoxymethyl)-N-methyl-N-[1-(pyridin-3-yl)ethyl]-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: 5-(2-methoxyphenoxymethyl)-N-methyl-N-[1-(pyridin-3-yl)ethyl]-1,2-oxazole-3-carboxamide
• Synonyms: 5-[(2-methoxyphenoxy)methyl]-N-methyl-N-(1-pyridin-3-ylethyl)isoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 2.2052815
• LogD (pH = 7.4): 2.2731843
• Log P: 2.2741413
• Molar Refractivity: 100.2908 cm^3
• Polarizability: 38.022762 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: 0.32
• LOG S: -2.16
• Polar Surface Area: 77.69 Å^2
• Rotatable Bonds: 7