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

• ChemBase ID: 365582
• Molecular Formular: C18H15N3O2
• Molecular Mass: 305.3306
• Monoisotopic Mass: 305.11642674
• SMILES: c1(c2n(Cc3noc(c3)C3CC3)ccn2)oc2c(c1)cccc2
• Canonical SMILES: c1ccc2c(c1)oc(c2)c1nccn1Cc1noc(c1)C1CC1
• InChI: InChI=1S/C18H15N3O2/c1-2-4-15-13(3-1)9-17(22-15)18-19-7-8-21(18)11-14-10-16(23-20-14)12-5-6-12/h1-4,7-10,12H,5-6,11H2
• InChIKey: FNJOCJGMWLNXFR-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 3-{[2-(1-benzofuran-2-yl)-1H-imidazol-1-yl]methyl}-5-cyclopropyl-1,2-oxazole
• IUPAC Traditional name: 3-{[2-(1-benzofuran-2-yl)imidazol-1-yl]methyl}-5-cyclopropyl-1,2-oxazole
• Synonyms: 3-{[2-(1-benzofuran-2-yl)-1H-imidazol-1-yl]methyl}-5-cyclopropylisoxazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 2
• H Donor: 0
• LogD (pH = 5.5): 2.8992662
• LogD (pH = 7.4): 2.975091
• Log P: 2.9761677
• Molar Refractivity: 95.6052 cm^3
• Polarizability: 33.85432 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: 2.27
• LOG S: -3.37
• Polar Surface Area: 56.99 Å^2
• Rotatable Bonds: 4