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

• ChemBase ID: 637587
• Molecular Formular: C17H13ClN4O2
• Molecular Mass: 340.76372
• Monoisotopic Mass: 340.07270336
• SMILES: c12c(noc2CCN(C(=O)c2nccnc2)C1)c1ccc(cc1)Cl
• Canonical SMILES: Clc1ccc(cc1)c1noc2c1CN(CC2)C(=O)c1cnccn1
• InChI: InChI=1S/C17H13ClN4O2/c18-12-3-1-11(2-4-12)16-13-10-22(8-5-15(13)24-21-16)17(23)14-9-19-6-7-20-14/h1-4,6-7,9H,5,8,10H2
• InChIKey: GTTBLFARAWGARS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 2-[3-(4-chlorophenyl)-4H,5H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]pyrazine
• IUPAC Traditional name: 2-[3-(4-chlorophenyl)-4H,6H,7H-[1,2]oxazolo[4,5-c]pyridine-5-carbonyl]pyrazine
• Synonyms: 3-(4-chlorophenyl)-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): 1.6790702
• LogD (pH = 7.4): 1.6790707
• Log P: 1.6790707
• Molar Refractivity: 89.1651 cm^3
• Polarizability: 34.580322 Å^3
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.61
• LOG S: -3.15
• Polar Surface Area: 72.12 Å^2
• Rotatable Bonds: 2