5-[1-(4-fluorophenyl)-2,2-dimethylcyclopropyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

• ChemBase ID: 715830
• Molecular Formular: C16H19FN2O2
• Molecular Mass: 290.3326632
• Monoisotopic Mass: 290.14305608
• SMILES: C1(c2nc(no2)CCOC)(C(C1)(C)C)c1ccc(cc1)F
• Canonical SMILES: COCCc1noc(n1)C1(CC1(C)C)c1ccc(cc1)F
• InChI: InChI=1S/C16H19FN2O2/c1-15(2)10-16(15,11-4-6-12(17)7-5-11)14-18-13(19-21-14)8-9-20-3/h4-7H,8-10H2,1-3H3
• InChIKey: BYLNOYKBQRHJKB-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 5-[1-(4-fluorophenyl)-2,2-dimethylcyclopropyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
• IUPAC Traditional name: 5-[1-(4-fluorophenyl)-2,2-dimethylcyclopropyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole
• Synonyms: 5-[1-(4-fluorophenyl)-2,2-dimethylcyclopropyl]-3-(2-methoxyethyl)-1,2,4-oxadiazole

CALCULATED PROPERTIES

JChem

• H Acceptors: 3
• H Donor: 0
• LogD (pH = 5.5): 3.7531939
• LogD (pH = 7.4): 3.7531939
• Log P: 3.7531939
• Molar Refractivity: 88.6217 cm^3
• Polarizability: 29.261253 Å^3
• Polar Surface Area: 48.15 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

供应商提供(Chembridge)

• H Acceptors: 4
• H Donor: 0
• Log P: 2.85
• LOG S: -3.75
• Polar Surface Area: 48.15 Å^2
• Rotatable Bonds: 5