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

• ChemBase ID: 492335
• Molecular Formular: C14H17N3O2
• Molecular Mass: 259.30368
• Monoisotopic Mass: 259.1320768
• SMILES: n1(c(ncc1)C1COCC1)Cc1noc(c1)C1CC1
• Canonical SMILES: C1OCC(C1)c1nccn1Cc1noc(c1)C1CC1
• InChI: InChI=1S/C14H17N3O2/c1-2-10(1)13-7-12(16-19-13)8-17-5-4-15-14(17)11-3-6-18-9-11/h4-5,7,10-11H,1-3,6,8-9H2
• InChIKey: GXIUQHDPFUOBOE-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

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

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 0.250407
• LogD (pH = 7.4): 1.0474517
• Log P: 1.1276822
• Molar Refractivity: 70.2214 cm^3
• Polarizability: 26.480505 Å^3
• Polar Surface Area: 53.08 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: 0.33
• LOG S: -1.37
• Polar Surface Area: 53.08 Å^2
• Rotatable Bonds: 4