3-(2-chlorophenyl)-4-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-5-methyl-1,2-oxazole

• ChemBase ID: 330985
• Molecular Formular: C17H15ClN4O2
• Molecular Mass: 342.7796
• Monoisotopic Mass: 342.08835342
• SMILES: c1(c(noc1C)c1c(Cl)cccc1)C(=O)N1Cc2n(cnc2)CC1
• Canonical SMILES: O=C(c1c(C)onc1c1ccccc1Cl)N1CCn2c(C1)cnc2
• InChI: InChI=1S/C17H15ClN4O2/c1-11-15(16(20-24-11)13-4-2-3-5-14(13)18)17(23)21-6-7-22-10-19-8-12(22)9-21/h2-5,8,10H,6-7,9H2,1H3
• InChIKey: AAFHQKOOHXDSDN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-(2-chlorophenyl)-4-{5H,6H,7H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-5-methyl-1,2-oxazole
• IUPAC Traditional name: 3-(2-chlorophenyl)-4-{5H,6H,8H-imidazo[1,5-a]pyrazine-7-carbonyl}-5-methyl-1,2-oxazole
• Synonyms: 7-{[3-(2-chlorophenyl)-5-methyl-4-isoxazolyl]carbonyl}-5,6,7,8-tetrahydroimidazo[1,5-a]pyrazine

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 1.5775176
• LogD (pH = 7.4): 2.0188131
• Log P: 2.0506206
• Molar Refractivity: 91.4631 cm^3
• Polarizability: 34.967598 Å^3
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.3
• LOG S: -2.75
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 2