(2R)-2-[3-(diphenylmethyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]pyrrolidine

• ChemBase ID: 745365
• Molecular Formular: C24H25N3O2
• Molecular Mass: 387.4742
• Monoisotopic Mass: 387.19467706
• SMILES: c12c(noc2CCN(C1)C(=O)[C@@H]1NCCC1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(N1CCc2c(C1)c(no2)C(c1ccccc1)c1ccccc1)[C@H]1CCCN1
• InChI: InChI=1S/C24H25N3O2/c28-24(20-12-7-14-25-20)27-15-13-21-19(16-27)23(26-29-21)22(17-8-3-1-4-9-17)18-10-5-2-6-11-18/h1-6,8-11,20,22,25H,7,12-16H2/t20-/m1/s1
• InChIKey: CDXXVSWZBASGAA-HXUWFJFHSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2R)-2-[3-(diphenylmethyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]pyrrolidine
• IUPAC Traditional name: (2R)-2-[3-(diphenylmethyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]pyrrolidine
• Synonyms: 3-(diphenylmethyl)-5-D-prolyl-4,5,6,7-tetrahydroisoxazolo[4,5-c]pyridine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.2009585
• LogD (pH = 7.4): 0.6481186
• Log P: 3.005975
• Molar Refractivity: 113.0149 cm^3
• Polarizability: 43.25812 Å^3
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.83
• LOG S: -4.44
• Polar Surface Area: 58.37 Å^2
• Rotatable Bonds: 4