2-(3-fluorophenoxymethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide

• ChemBase ID: 410486
• Molecular Formular: C17H16FN3O4
• Molecular Mass: 345.3250432
• Monoisotopic Mass: 345.11248423
• SMILES: c1(C(=O)N(C(c2nocc2)C)C)nc(oc1)COc1cc(F)ccc1
• Canonical SMILES: Fc1cccc(c1)OCc1occ(n1)C(=O)N(C(c1nocc1)C)C
• InChI: InChI=1S/C17H16FN3O4/c1-11(14-6-7-25-20-14)21(2)17(22)15-9-24-16(19-15)10-23-13-5-3-4-12(18)8-13/h3-9,11H,10H2,1-2H3
• InChIKey: IDXVDZDQKBOPMU-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-(3-fluorophenoxymethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide
• IUPAC Traditional name: 2-(3-fluorophenoxymethyl)-N-methyl-N-[1-(1,2-oxazol-3-yl)ethyl]-1,3-oxazole-4-carboxamide
• Synonyms: 2-[(3-fluorophenoxy)methyl]-N-[1-(3-isoxazolyl)ethyl]-N-methyl-1,3-oxazole-4-carboxamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.1209047
• LogD (pH = 7.4): 2.120905
• Log P: 2.120905
• Molar Refractivity: 85.9127 cm^3
• Polarizability: 32.183937 Å^3
• Polar Surface Area: 81.6 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.13
• LOG S: -3.52
• Polar Surface Area: 81.6 Å^2
• Rotatable Bonds: 6