N-({3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)-2-(4-methoxyphenyl)acetamide

• ChemBase ID: 322916
• Molecular Formular: C20H21FN2O3
• Molecular Mass: 356.3907432
• Monoisotopic Mass: 356.15362076
• SMILES: N1=C(CC(O1)CNC(=O)Cc1ccc(cc1)OC)Cc1ccc(F)cc1
• Canonical SMILES: COc1ccc(cc1)CC(=O)NCC1ON=C(C1)Cc1ccc(cc1)F
• InChI: InChI=1S/C20H21FN2O3/c1-25-18-8-4-15(5-9-18)11-20(24)22-13-19-12-17(23-26-19)10-14-2-6-16(21)7-3-14/h2-9,19H,10-13H2,1H3,(H,22,24)
• InChIKey: GIFBEALGZAAICE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)-2-(4-methoxyphenyl)acetamide
• IUPAC Traditional name: N-({3-[(4-fluorophenyl)methyl]-4,5-dihydro-1,2-oxazol-5-yl}methyl)-2-(4-methoxyphenyl)acetamide
• Synonyms: N-{[3-(4-fluorobenzyl)-4,5-dihydro-5-isoxazolyl]methyl}-2-(4-methoxyphenyl)acetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.98078
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): 3.164531
• LogD (pH = 7.4): 3.167366
• Log P: 3.1674023
• Molar Refractivity: 95.8263 cm^3
• Polarizability: 36.899464 Å^3
• Polar Surface Area: 59.92 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.9
• LOG S: -4.5
• Polar Surface Area: 59.92 Å^2
• Rotatable Bonds: 6