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

• ChemBase ID: 716152
• Molecular Formular: C23H25N3O4
• Molecular Mass: 407.4623
• Monoisotopic Mass: 407.1845063
• SMILES: c1(nc(c(o1)C)CNC(=O)CC)c1c(NC(=O)CCOc2ccccc2)cccc1
• Canonical SMILES: CCC(=O)NCc1nc(oc1C)c1ccccc1NC(=O)CCOc1ccccc1
• InChI: InChI=1S/C23H25N3O4/c1-3-21(27)24-15-20-16(2)30-23(26-20)18-11-7-8-12-19(18)25-22(28)13-14-29-17-9-5-4-6-10-17/h4-12H,3,13-15H2,1-2H3,(H,24,27)(H,25,28)
• InChIKey: ZUUOAYYHTOGNBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{2-[5-methyl-4-(propanamidomethyl)-1,3-oxazol-2-yl]phenyl}-3-phenoxypropanamide
• IUPAC Traditional name: N-{2-[5-methyl-4-(propanamidomethyl)-1,3-oxazol-2-yl]phenyl}-3-phenoxypropanamide
• Synonyms: N-(2-{5-methyl-4-[(propionylamino)methyl]-1,3-oxazol-2-yl}phenyl)-3-phenoxypropanamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.662902
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): 2.857715
• LogD (pH = 7.4): 2.8577158
• Log P: 2.8577182
• Molar Refractivity: 124.5651 cm^3
• Polarizability: 43.91742 Å^3
• Polar Surface Area: 93.46 Å^2
• Rotatable Bonds: 9
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 1.55
• LOG S: -5.16
• Polar Surface Area: 93.46 Å^2
• Rotatable Bonds: 8