N-ethyl-N-{1-[2-(3-fluorophenoxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl}acetamide

• ChemBase ID: 833456
• Molecular Formular: C19H22FN3O4
• Molecular Mass: 375.3940832
• Monoisotopic Mass: 375.15943442
• SMILES: c1(nc(oc1)COc1cc(F)ccc1)C(=O)N1CC(N(C(=O)C)CC)CC1
• Canonical SMILES: CCN(C1CCN(C1)C(=O)c1coc(n1)COc1cccc(c1)F)C(=O)C
• InChI: InChI=1S/C19H22FN3O4/c1-3-23(13(2)24)15-7-8-22(10-15)19(25)17-11-27-18(21-17)12-26-16-6-4-5-14(20)9-16/h4-6,9,11,15H,3,7-8,10,12H2,1-2H3
• InChIKey: SOQRBDCVRDITFD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-ethyl-N-{1-[2-(3-fluorophenoxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl}acetamide
• IUPAC Traditional name: N-ethyl-N-{1-[2-(3-fluorophenoxymethyl)-1,3-oxazole-4-carbonyl]pyrrolidin-3-yl}acetamide
• Synonyms: N-ethyl-N-[1-({2-[(3-fluorophenoxy)methyl]-1,3-oxazol-4-yl}carbonyl)pyrrolidin-3-yl]acetamide

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 0.93219876
• LogD (pH = 7.4): 0.9321989
• Log P: 0.9321989
• Molar Refractivity: 95.4919 cm^3
• Polarizability: 36.258106 Å^3
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: -0.89
• LOG S: -2.49
• Polar Surface Area: 75.88 Å^2
• Rotatable Bonds: 6