N-{[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 842599
• Molecular Formular: C15H21N5O2
• Molecular Mass: 303.35954
• Monoisotopic Mass: 303.16952494
• SMILES: c1(nc2n(c1)CCNC2)C(=O)NCc1noc(c1)CC(C)C
• Canonical SMILES: CC(Cc1onc(c1)CNC(=O)c1cn2c(n1)CNCC2)C
• InChI: InChI=1S/C15H21N5O2/c1-10(2)5-12-6-11(19-22-12)7-17-15(21)13-9-20-4-3-16-8-14(20)18-13/h6,9-10,16H,3-5,7-8H2,1-2H3,(H,17,21)
• InChIKey: OSQWKTRANXGVJO-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-{[5-(2-methylpropyl)-1,2-oxazol-3-yl]methyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-[(5-isobutyl-3-isoxazolyl)methyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.036585
• H Acceptors: 4
• H Donor: 2
• LogD (pH = 5.5): -0.4880279
• LogD (pH = 7.4): 0.5617285
• Log P: 0.6227708
• Molar Refractivity: 82.4743 cm^3
• Polarizability: 30.973345 Å^3
• Polar Surface Area: 84.98 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 2
• Log P: 0.41
• LOG S: -1.76
• Polar Surface Area: 84.98 Å^2
• Rotatable Bonds: 5