N-(dicyclopropylmethyl)-2-(3-fluorophenoxymethyl)-1,3-oxazole-4-carboxamide

• ChemBase ID: 548546
• Molecular Formular: C18H19FN2O3
• Molecular Mass: 330.3534632
• Monoisotopic Mass: 330.1379707
• SMILES: c1(nc(oc1)COc1cc(F)ccc1)C(=O)NC(C1CC1)C1CC1
• Canonical SMILES: Fc1cccc(c1)OCc1occ(n1)C(=O)NC(C1CC1)C1CC1
• InChI: InChI=1S/C18H19FN2O3/c19-13-2-1-3-14(8-13)23-10-16-20-15(9-24-16)18(22)21-17(11-4-5-11)12-6-7-12/h1-3,8-9,11-12,17H,4-7,10H2,(H,21,22)
• InChIKey: AFMVAMBYHDDZLN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.329855
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.7788956
• LogD (pH = 7.4): 2.7788913
• Log P: 2.7788959
• Molar Refractivity: 84.5439 cm^3
• Polarizability: 32.429165 Å^3
• Polar Surface Area: 64.36 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: 3.33
• LOG S: -4.75
• Polar Surface Area: 64.36 Å^2
• Rotatable Bonds: 7