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

• ChemBase ID: 443443
• Molecular Formular: C20H19N3O4
• Molecular Mass: 365.38256
• Monoisotopic Mass: 365.1375561
• SMILES: c1(n(Cc2cc(on2)c2occc2)ccn1)c1oc(cc1)C1OCCCC1
• Canonical SMILES: C1CCC(OC1)c1ccc(o1)c1nccn1Cc1noc(c1)c1ccco1
• InChI: InChI=1S/C20H19N3O4/c1-2-10-24-15(4-1)17-6-7-18(26-17)20-21-8-9-23(20)13-14-12-19(27-22-14)16-5-3-11-25-16/h3,5-9,11-12,15H,1-2,4,10,13H2
• InChIKey: LCAHBUNAVZUKOS-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 2.5876951
• LogD (pH = 7.4): 2.6662238
• Log P: 2.6673434
• Molar Refractivity: 107.5958 cm^3
• Polarizability: 38.627895 Å^3
• Polar Surface Area: 79.36 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 1.67
• LOG S: -3.29
• Polar Surface Area: 79.36 Å^2
• Rotatable Bonds: 5