5-methyl-N-{4-[2-(oxolan-3-yl)-1H-imidazol-1-yl]phenyl}furan-2-carboxamide

• ChemBase ID: 684717
• Molecular Formular: C19H19N3O3
• Molecular Mass: 337.37246
• Monoisotopic Mass: 337.14264148
• SMILES: c1(n(c2ccc(NC(=O)c3oc(cc3)C)cc2)ccn1)C1COCC1
• Canonical SMILES: Cc1ccc(o1)C(=O)Nc1ccc(cc1)n1ccnc1C1COCC1
• InChI: InChI=1S/C19H19N3O3/c1-13-2-7-17(25-13)19(23)21-15-3-5-16(6-4-15)22-10-9-20-18(22)14-8-11-24-12-14/h2-7,9-10,14H,8,11-12H2,1H3,(H,21,23)
• InChIKey: VZYNEXMEDSEFEE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-methyl-N-{4-[2-(oxolan-3-yl)-1H-imidazol-1-yl]phenyl}furan-2-carboxamide
• IUPAC Traditional name: 5-methyl-N-{4-[2-(oxolan-3-yl)imidazol-1-yl]phenyl}furan-2-carboxamide
• Synonyms: 5-methyl-N-{4-[2-(tetrahydrofuran-3-yl)-1H-imidazol-1-yl]phenyl}-2-furamide

CALCULATED PROPERTIES

JChem

• Acid pKa: 12.385515
• H Acceptors: 3
• H Donor: 1
• LogD (pH = 5.5): 1.5824671
• LogD (pH = 7.4): 2.2997706
• Log P: 2.3435123
• Molar Refractivity: 105.5169 cm^3
• Polarizability: 35.91113 Å^3
• Polar Surface Area: 69.29 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 1
• Log P: 2.62
• LOG S: -3.9
• Polar Surface Area: 69.29 Å^2
• Rotatable Bonds: 4