N-({2-[3-(2-methoxyacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-3-(3-methoxyphenyl)propanamide

• ChemBase ID: 332816
• Molecular Formular: C24H27N3O5
• Molecular Mass: 437.48828
• Monoisotopic Mass: 437.19507098
• SMILES: n1c(oc(c1CNC(=O)CCc1cc(OC)ccc1)C)c1cc(NC(=O)COC)ccc1
• Canonical SMILES: COCC(=O)Nc1cccc(c1)c1nc(c(o1)C)CNC(=O)CCc1cccc(c1)OC
• InChI: InChI=1S/C24H27N3O5/c1-16-21(14-25-22(28)11-10-17-6-4-9-20(12-17)31-3)27-24(32-16)18-7-5-8-19(13-18)26-23(29)15-30-2/h4-9,12-13H,10-11,14-15H2,1-3H3,(H,25,28)(H,26,29)
• InChIKey: PFEMWEXWXWPABX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-({2-[3-(2-methoxyacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-3-(3-methoxyphenyl)propanamide
• IUPAC Traditional name: N-({2-[3-(2-methoxyacetamido)phenyl]-5-methyl-1,3-oxazol-4-yl}methyl)-3-(3-methoxyphenyl)propanamide
• Synonyms: N-[(2-{3-[(methoxyacetyl)amino]phenyl}-5-methyl-1,3-oxazol-4-yl)methyl]-3-(3-methoxyphenyl)propanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.73004
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): 2.3503773
• LogD (pH = 7.4): 2.3503797
• Log P: 2.3503819
• Molar Refractivity: 131.5162 cm^3
• Polarizability: 46.454334 Å^3
• Polar Surface Area: 102.69 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 1.8
• LOG S: -5.15
• Polar Surface Area: 102.69 Å^2
• Rotatable Bonds: 8