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

• ChemBase ID: 321474
• Molecular Formular: C19H23N3O3
• Molecular Mass: 341.40422
• Monoisotopic Mass: 341.17394161
• SMILES: c1(n(Cc2cc(no2)C(C)C)ccn1)c1oc(cc1)C1OCCCC1
• Canonical SMILES: CC(c1noc(c1)Cn1ccnc1c1ccc(o1)C1CCCCO1)C
• InChI: InChI=1S/C19H23N3O3/c1-13(2)15-11-14(25-21-15)12-22-9-8-20-19(22)18-7-6-17(24-18)16-5-3-4-10-23-16/h6-9,11,13,16H,3-5,10,12H2,1-2H3
• InChIKey: KUZPIMADZFQIKD-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-({2-[5-(oxan-2-yl)furan-2-yl]-1H-imidazol-1-yl}methyl)-3-(propan-2-yl)-1,2-oxazole
• IUPAC Traditional name: 3-isopropyl-5-({2-[5-(oxan-2-yl)furan-2-yl]imidazol-1-yl}methyl)-1,2-oxazole
• Synonyms: 3-isopropyl-5-({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): 3.1741886
• LogD (pH = 7.4): 3.2521808
• Log P: 3.2532918
• Molar Refractivity: 104.3838 cm^3
• Polarizability: 36.244736 Å^3
• Polar Surface Area: 66.22 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 5
• H Donor: 0
• Log P: 1.79
• LOG S: -3.22
• Polar Surface Area: 66.22 Å^2
• Rotatable Bonds: 5