5-(2,4-difluorophenoxymethyl)-N-methyl-N-[2-(pyridin-2-yl)ethyl]-1,2-oxazole-3-carboxamide

• ChemBase ID: 508426
• Molecular Formular: C19H17F2N3O3
• Molecular Mass: 373.3533864
• Monoisotopic Mass: 373.12379786
• SMILES: c1(noc(c1)COc1c(cc(cc1)F)F)C(=O)N(CCc1ncccc1)C
• Canonical SMILES: Fc1ccc(c(c1)F)OCc1onc(c1)C(=O)N(CCc1ccccn1)C
• InChI: InChI=1S/C19H17F2N3O3/c1-24(9-7-14-4-2-3-8-22-14)19(25)17-11-15(27-23-17)12-26-18-6-5-13(20)10-16(18)21/h2-6,8,10-11H,7,9,12H2,1H3
• InChIKey: ZTEYMKYIEQDAPX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• LogD (pH = 7.4): 2.6185417
• Log P: 2.619126
• Molar Refractivity: 94.0188 cm^3
• Polarizability: 34.953552 Å^3
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true
• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.5751534

供应商提供(Chembridge)

• Log P: 1.67
• LOG S: -4.45
• Polar Surface Area: 68.46 Å^2
• Rotatable Bonds: 7
• H Acceptors: 5
• H Donor: 0