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

• ChemBase ID: 508729
• Molecular Formular: C24H20N4O2
• Molecular Mass: 396.4412
• Monoisotopic Mass: 396.1586259
• SMILES: c12c(noc2CCN(C(=O)c2nccnc2)C1)C(c1ccccc1)c1ccccc1
• Canonical SMILES: O=C(c1cnccn1)N1CCc2c(C1)c(no2)C(c1ccccc1)c1ccccc1
• InChI: InChI=1S/C24H20N4O2/c29-24(20-15-25-12-13-26-20)28-14-11-21-19(16-28)23(27-30-21)22(17-7-3-1-4-8-17)18-9-5-2-6-10-18/h1-10,12-13,15,22H,11,14,16H2
• InChIKey: QTYZMJPUCIPBGJ-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 4
• H Donor: 0
• LogD (pH = 5.5): 2.6844501
• LogD (pH = 7.4): 2.6844506
• Log P: 2.6844506
• Molar Refractivity: 113.579 cm^3
• Polarizability: 42.683994 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 2.05
• LOG S: -4.48
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 4