3-methyl-4-{2-[5-(oxolan-3-yl)-4-phenyl-1H-imidazol-1-yl]ethoxy}-1,2,5-oxadiazole

• ChemBase ID: 492245
• Molecular Formular: C18H20N4O3
• Molecular Mass: 340.3764
• Monoisotopic Mass: 340.15354052
• SMILES: n1c(c(n(c1)CCOc1nonc1C)C1COCC1)c1ccccc1
• Canonical SMILES: Cc1nonc1OCCn1cnc(c1C1COCC1)c1ccccc1
• InChI: InChI=1S/C18H20N4O3/c1-13-18(21-25-20-13)24-10-8-22-12-19-16(14-5-3-2-4-6-14)17(22)15-7-9-23-11-15/h2-6,12,15H,7-11H2,1H3
• InChIKey: QESSJABTPRBEHN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-methyl-4-{2-[5-(oxolan-3-yl)-4-phenyl-1H-imidazol-1-yl]ethoxy}-1,2,5-oxadiazole
• IUPAC Traditional name: 3-methyl-4-{2-[5-(oxolan-3-yl)-4-phenylimidazol-1-yl]ethoxy}-1,2,5-oxadiazole
• Synonyms: 3-methyl-4-{2-[4-phenyl-5-(tetrahydrofuran-3-yl)-1H-imidazol-1-yl]ethoxy}-1,2,5-oxadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 5
• H Donor: 0
• LogD (pH = 5.5): 1.4770997
• LogD (pH = 7.4): 1.919682
• Log P: 1.9317784
• Molar Refractivity: 93.4963 cm^3
• Polarizability: 36.096745 Å^3
• Polar Surface Area: 75.2 Å^2
• Rotatable Bonds: 6
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 6
• H Donor: 0
• Log P: 2.64
• LOG S: -3.94
• Polar Surface Area: 75.2 Å^2
• Rotatable Bonds: 6