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

• ChemBase ID: 421771
• Molecular Formular: C24H25N3O2
• Molecular Mass: 387.4742
• Monoisotopic Mass: 387.19467706
• SMILES: c12c(noc1CCN(C2)CC(=O)NC1CC1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(NC1CC1)CN1CCc2c(C1)c(no2)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H25N3O2/c28-22(25-19-11-12-19)16-27-14-13-21-20(15-27)24(26-29-21)23(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,19,23H,11-16H2,(H,25,28)
• InChIKey: PSDXNNYFFMKICF-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.783699
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 2.295312
• LogD (pH = 7.4): 2.9906373
• Log P: 3.0131576
• Molar Refractivity: 113.3378 cm^3
• Polarizability: 43.18108 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 3.4
• LOG S: -4.93
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 6