5-({2-[3-(furan-2-yl)phenyl]-1H-imidazol-1-yl}methyl)-3-methyl-1,2-oxazole

• ChemBase ID: 482045
• Molecular Formular: C18H15N3O2
• Molecular Mass: 305.3306
• Monoisotopic Mass: 305.11642674
• SMILES: n1(c(ncc1)c1cc(c2occc2)ccc1)Cc1onc(c1)C
• Canonical SMILES: Cc1noc(c1)Cn1ccnc1c1cccc(c1)c1ccco1
• InChI: InChI=1S/C18H15N3O2/c1-13-10-16(23-20-13)12-21-8-7-19-18(21)15-5-2-4-14(11-15)17-6-3-9-22-17/h2-11H,12H2,1H3
• InChIKey: RXUVWNYEYNKTLR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-({2-[3-(furan-2-yl)phenyl]-1H-imidazol-1-yl}methyl)-3-methyl-1,2-oxazole
• IUPAC Traditional name: 5-({2-[3-(furan-2-yl)phenyl]imidazol-1-yl}methyl)-3-methyl-1,2-oxazole
• Synonyms: 5-({2-[3-(2-furyl)phenyl]-1H-imidazol-1-yl}methyl)-3-methylisoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.3927262
• LogD (pH = 7.4): 2.9327056
• Log P: 2.951084
• Molar Refractivity: 97.0618 cm^3
• Polarizability: 34.32993 Å^3
• Polar Surface Area: 56.99 Å^2
• Rotatable Bonds: 4
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.67
• LOG S: -3.71
• Polar Surface Area: 56.99 Å^2
• Rotatable Bonds: 4