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

• ChemBase ID: 325667
• Molecular Formular: C24H27N3O4
• Molecular Mass: 421.48888
• Monoisotopic Mass: 421.20015636
• SMILES: n1c(oc(c1CNC(=O)CCCc1ccccc1)C)c1cc(NC(=O)COC)ccc1
• Canonical SMILES: COCC(=O)Nc1cccc(c1)c1oc(c(n1)CNC(=O)CCCc1ccccc1)C
• InChI: InChI=1S/C24H27N3O4/c1-17-21(15-25-22(28)13-6-10-18-8-4-3-5-9-18)27-24(31-17)19-11-7-12-20(14-19)26-23(29)16-30-2/h3-5,7-9,11-12,14H,6,10,13,15-16H2,1-2H3,(H,25,28)(H,26,29)
• InChIKey: CCBWBOTYDFUAND-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.7308655
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.9526172
• LogD (pH = 7.4): 2.9526198
• Log P: 2.9526217
• Molar Refractivity: 129.654 cm^3
• Polarizability: 45.768684 Å^3
• Polar Surface Area: 93.46 Å^2
• Rotatable Bonds: 10
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 2.26
• LOG S: -5.69
• Polar Surface Area: 93.46 Å^2
• Rotatable Bonds: 9