N-ethyl-4-(methoxymethyl)-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide

• ChemBase ID: 411463
• Molecular Formular: C15H19N3O3
• Molecular Mass: 289.32966
• Monoisotopic Mass: 289.14264148
• SMILES: c1(c(c(on1)C)COC)C(=O)N(Cc1ccncc1)CC
• Canonical SMILES: COCc1c(C)onc1C(=O)N(Cc1ccncc1)CC
• InChI: InChI=1S/C15H19N3O3/c1-4-18(9-12-5-7-16-8-6-12)15(19)14-13(10-20-3)11(2)21-17-14/h5-8H,4,9-10H2,1-3H3
• InChIKey: UWIKOFNWTRZNEZ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-4-(methoxymethyl)-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-ethyl-4-(methoxymethyl)-5-methyl-N-(pyridin-4-ylmethyl)-1,2-oxazole-3-carboxamide
• Synonyms: N-ethyl-4-(methoxymethyl)-5-methyl-N-(pyridin-4-ylmethyl)isoxazole-3-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.8509801
• LogD (pH = 7.4): 0.9589611
• Log P: 0.96058065
• Molar Refractivity: 79.9209 cm^3
• Polarizability: 29.544031 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: -0.69
• LOG S: -0.73
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6