N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 578627
• Molecular Formular: C20H21N3O3
• Molecular Mass: 351.39904
• Monoisotopic Mass: 351.15829155
• SMILES: c1(nc(oc1)COc1ccccc1)C(=O)N(Cc1ncc(cc1)CC)C
• Canonical SMILES: CCc1ccc(nc1)CN(C(=O)c1coc(n1)COc1ccccc1)C
• InChI: InChI=1S/C20H21N3O3/c1-3-15-9-10-16(21-11-15)12-23(2)20(24)18-13-26-19(22-18)14-25-17-7-5-4-6-8-17/h4-11,13H,3,12,14H2,1-2H3
• InChIKey: NQGZUSJZSSLOAL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: N-[(5-ethylpyridin-2-yl)methyl]-N-methyl-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide
• Synonyms: N-[(5-ethyl-2-pyridinyl)methyl]-N-methyl-2-(phenoxymethyl)-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.7363808
• LogD (pH = 7.4): 2.7845578
• Log P: 2.7852108
• Molar Refractivity: 97.2457 cm^3
• Polarizability: 37.24664 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.09
• LOG S: -3.26
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 6