5-(1H-imidazol-1-yl)-N-(2-methoxyethyl)furan-2-carboxamide

• ChemBase ID: 379983
• Molecular Formular: C11H13N3O3
• Molecular Mass: 235.23922
• Monoisotopic Mass: 235.09569129
• SMILES: c1(n2cncc2)oc(C(=O)NCCOC)cc1
• Canonical SMILES: COCCNC(=O)c1ccc(o1)n1cncc1
• InChI: InChI=1S/C11H13N3O3/c1-16-7-5-13-11(15)9-2-3-10(17-9)14-6-4-12-8-14/h2-4,6,8H,5,7H2,1H3,(H,13,15)
• InChIKey: SFHVQXRIACLBCN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-(1H-imidazol-1-yl)-N-(2-methoxyethyl)furan-2-carboxamide
• IUPAC Traditional name: 5-(imidazol-1-yl)-N-(2-methoxyethyl)furan-2-carboxamide
• Synonyms: 5-(1H-imidazol-1-yl)-N-(2-methoxyethyl)-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 15.007836
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): -0.51876974
• LogD (pH = 7.4): -0.10843725
• Log P: -0.08671119
• Molar Refractivity: 70.6692 cm^3
• Polarizability: 22.753773 Å^3
• Polar Surface Area: 69.29 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 0.05
• LOG S: -2.27
• Polar Surface Area: 69.29 Å^2
• Rotatable Bonds: 5