N-{[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide

• ChemBase ID: 575047
• Molecular Formular: C18H19N5O3
• Molecular Mass: 353.37516
• Monoisotopic Mass: 353.14878949
• SMILES: c1(nc2n(c1)CCNC2)C(=O)NCc1noc(c1)c1ccc(cc1)OC
• Canonical SMILES: COc1ccc(cc1)c1onc(c1)CNC(=O)c1cn2c(n1)CNCC2
• InChI: InChI=1S/C18H19N5O3/c1-25-14-4-2-12(3-5-14)16-8-13(22-26-16)9-20-18(24)15-11-23-7-6-19-10-17(23)21-15/h2-5,8,11,19H,6-7,9-10H2,1H3,(H,20,24)
• InChIKey: ZOJGHCWCVQFPKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: N-{[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• IUPAC Traditional name: N-{[5-(4-methoxyphenyl)-1,2-oxazol-3-yl]methyl}-5H,6H,7H,8H-imidazo[1,2-a]pyrazine-2-carboxamide
• Synonyms: N-{[5-(4-methoxyphenyl)-3-isoxazolyl]methyl}-5,6,7,8-tetrahydroimidazo[1,2-a]pyrazine-2-carboxamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 14.028315
• H Acceptors: 5
• H Donor: 2
• LogD (pH = 5.5): -0.5321437
• LogD (pH = 7.4): 0.5176122
• Log P: 0.5786545
• Molar Refractivity: 95.1279 cm^3
• Polarizability: 37.118156 Å^3
• Polar Surface Area: 94.21 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 2
• Log P: 0.26
• LOG S: -3.31
• Polar Surface Area: 94.21 Å^2
• Rotatable Bonds: 5