N-cyclopropyl-2-[3-(4-phenylphenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]acetamide

• ChemBase ID: 389317
• Molecular Formular: C23H23N3O2
• Molecular Mass: 373.44762
• Monoisotopic Mass: 373.17902699
• SMILES: c12c(noc1CCN(C2)CC(=O)NC1CC1)c1ccc(cc1)c1ccccc1
• Canonical SMILES: O=C(NC1CC1)CN1CCc2c(C1)c(no2)c1ccc(cc1)c1ccccc1
• InChI: InChI=1S/C23H23N3O2/c27-22(24-19-10-11-19)15-26-13-12-21-20(14-26)23(25-28-21)18-8-6-17(7-9-18)16-4-2-1-3-5-16/h1-9,19H,10-15H2,(H,24,27)
• InChIKey: JJPFHCRMEFKJPL-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-cyclopropyl-2-[3-(4-phenylphenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]acetamide
• IUPAC Traditional name: N-cyclopropyl-2-[3-(4-phenylphenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridin-5-yl]acetamide
• Synonyms: 2-(3-biphenyl-4-yl-6,7-dihydroisoxazolo[4,5-c]pyridin-5(4H)-yl)-N-cyclopropylacetamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.113386
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.8542751
• LogD (pH = 7.4): 2.9767737
• Log P: 3.0509584
• Molar Refractivity: 109.2553 cm^3
• Polarizability: 44.192966 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.09
• LOG S: -4.56
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 5