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

• ChemBase ID: 423798
• Molecular Formular: C14H18N4O2
• Molecular Mass: 274.31832
• Monoisotopic Mass: 274.14297584
• SMILES: c1(C(=O)N2Cc3n(cnc3)CC2)cc(no1)CC(C)C
• Canonical SMILES: CC(Cc1noc(c1)C(=O)N1CCn2c(C1)cnc2)C
• InChI: InChI=1S/C14H18N4O2/c1-10(2)5-11-6-13(20-16-11)14(19)17-3-4-18-9-15-7-12(18)8-17/h6-7,9-10H,3-5,8H2,1-2H3
• InChIKey: OSOULDUWVJOKGI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.22433285
• LogD (pH = 7.4): 0.665627
• Log P: 0.6974339
• Molar Refractivity: 74.9899 cm^3
• Polarizability: 27.69039 Å^3
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: -0.87
• LOG S: -1.77
• Polar Surface Area: 64.16 Å^2
• Rotatable Bonds: 3