N-[(2-methoxyphenyl)methyl]-3-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide

• ChemBase ID: 831533
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: c1(C(=O)N(Cc2c(OC)cccc2)Cc2ccncc2)onc(c1)C
• Canonical SMILES: COc1ccccc1CN(C(=O)c1onc(c1)C)Cc1ccncc1
• InChI: InChI=1S/C19H19N3O3/c1-14-11-18(25-21-14)19(23)22(12-15-7-9-20-10-8-15)13-16-5-3-4-6-17(16)24-2/h3-11H,12-13H2,1-2H3
• InChIKey: IATNUAAUUXFPOI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(2-methoxyphenyl)methyl]-3-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
• IUPAC Traditional name: N-[(2-methoxyphenyl)methyl]-3-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-5-carboxamide
• Synonyms: N-(2-methoxybenzyl)-3-methyl-N-(pyridin-4-ylmethyl)isoxazole-5-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 1.6511594
• LogD (pH = 7.4): 1.759138
• Log P: 1.7607574
• Molar Refractivity: 94.3723 cm^3
• Polarizability: 35.409657 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 0.49
• LOG S: -0.78
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6