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

• ChemBase ID: 484430
• Molecular Formular: C24H27N3O5
• Molecular Mass: 437.48828
• Monoisotopic Mass: 437.19507098
• SMILES: c1(nc(c(o1)C)CNC(=O)C(O)(C)C)c1c(NC(=O)CCOc2ccccc2)cccc1
• Canonical SMILES: O=C(Nc1ccccc1c1nc(c(o1)C)CNC(=O)C(O)(C)C)CCOc1ccccc1
• InChI: InChI=1S/C24H27N3O5/c1-16-20(15-25-23(29)24(2,3)30)27-22(32-16)18-11-7-8-12-19(18)26-21(28)13-14-31-17-9-5-4-6-10-17/h4-12,30H,13-15H2,1-3H3,(H,25,29)(H,26,28)
• InChIKey: VOPSZBULCMCAQY-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.363828
• H Acceptors: 5
• H Donor: 3
• LogD (pH = 5.5): 2.3414612
• LogD (pH = 7.4): 2.34146
• Log P: 2.3414645
• Molar Refractivity: 130.8476 cm^3
• Polarizability: 46.388714 Å^3
• Polar Surface Area: 113.69 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 3
• Log P: 1.28
• LOG S: -4.92
• Polar Surface Area: 113.69 Å^2
• Rotatable Bonds: 9