7-(5-propyl-1,2-oxazole-3-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide

• ChemBase ID: 726139
• Molecular Formular: C14H17N5O3
• Molecular Mass: 303.31648
• Monoisotopic Mass: 303.13313943
• SMILES: c1(n2c(nc1)CN(C(=O)c1noc(c1)CCC)CC2)C(=O)N
• Canonical SMILES: CCCc1onc(c1)C(=O)N1CCn2c(C1)ncc2C(=O)N
• InChI: InChI=1S/C14H17N5O3/c1-2-3-9-6-10(17-22-9)14(21)18-4-5-19-11(13(15)20)7-16-12(19)8-18/h6-7H,2-5,8H2,1H3,(H2,15,20)
• InChIKey: UIMHHEWBSQHYBX-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 7-(5-propyl-1,2-oxazole-3-carbonyl)-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• IUPAC Traditional name: 7-(5-propyl-1,2-oxazole-3-carbonyl)-5H,6H,8H-imidazo[1,2-a]pyrazine-3-carboxamide
• Synonyms: 7-[(5-propylisoxazol-3-yl)carbonyl]-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-3-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 13.872559
• H Acceptors: 4
• H Donor: 1
• LogD (pH = 5.5): -0.3382712
• LogD (pH = 7.4): -0.31012467
• Log P: -0.30975157
• Molar Refractivity: 79.0525 cm^3
• Polarizability: 28.786598 Å^3
• Polar Surface Area: 107.25 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 1
• Log P: 0.07
• LOG S: -2.78
• Polar Surface Area: 107.25 Å^2
• Rotatable Bonds: 4