N-[3-(2-methyl-1H-imidazol-1-yl)-1-phenylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide

• ChemBase ID: 572697
• Molecular Formular: C23H22N4O2
• Molecular Mass: 386.44638
• Monoisotopic Mass: 386.17427596
• SMILES: c1(noc(c1)c1ccccc1)C(=O)NC(CCn1c(ncc1)C)c1ccccc1
• Canonical SMILES: O=C(c1noc(c1)c1ccccc1)NC(c1ccccc1)CCn1ccnc1C
• InChI: InChI=1S/C23H22N4O2/c1-17-24-13-15-27(17)14-12-20(18-8-4-2-5-9-18)25-23(28)21-16-22(29-26-21)19-10-6-3-7-11-19/h2-11,13,15-16,20H,12,14H2,1H3,(H,25,28)
• InChIKey: HFLVXBLYRLQXSP-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-[3-(2-methyl-1H-imidazol-1-yl)-1-phenylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide
• IUPAC Traditional name: N-[3-(2-methylimidazol-1-yl)-1-phenylpropyl]-5-phenyl-1,2-oxazole-3-carboxamide
• Synonyms: N-[3-(2-methyl-1H-imidazol-1-yl)-1-phenylpropyl]-5-phenyl-3-isoxazolecarboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.84145
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.2265165
• LogD (pH = 7.4): 2.9944627
• Log P: 3.239376
• Molar Refractivity: 111.6462 cm^3
• Polarizability: 43.40467 Å^3
• Polar Surface Area: 72.95 Å^2
• Rotatable Bonds: 7
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.88
• LOG S: -4.48
• Polar Surface Area: 72.95 Å^2
• Rotatable Bonds: 7