5-methyl-3-(5-nitrofuran-2-yl)-1,2,4-oxadiazole

This chemical is called 1,2,4-Oxadiazole,5-methyl-3-(5-nitro-2-furanyl)-, and its systematic name is 5-methyl-3-(5-nitrofuran-2-yl)-1,2,4-oxadiazole. With the molecular formula of C₇H₅N₃O₄, its molecular weight is 195.132. The CAS registry number of this chemical is 63-61-6.

Other characteristics of the 1,2,4-Oxadiazole,5-methyl-3-(5-nitro-2-furanyl)- can be summarised as followings: (1)ACD/LogP: 1.02; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 1.02; (4)ACD/LogD (pH 7.4): 1.02; (5)ACD/BCF (pH 5.5): 3.52; (6)ACD/BCF (pH 7.4): 3.52; (7)ACD/KOC (pH 5.5): 85.72; (8)ACD/KOC (pH 7.4): 85.72; (9)#H bond acceptors: 7; (10)#H bond donors: 0; (11)#Freely Rotating Bonds: 2; (12)Polar Surface Area: 97.88 Å²; (13)Index of Refraction: 1.55; (14)Molar Refractivity: 42.99 cm³; (15)Molar Volume: 134.8 cm³; (16)Polarizability: 17.04×10^-24cm³; (17)Surface Tension: 56.6 dyne/cm; (18)Density: 1.446 g/cm³; (19)Flash Point: 166.6 °C; (20)Enthalpy of Vaporization: 57.31 kJ/mol; (21)Boiling Point: 351.9 °C at 760 mmHg; (22)Vapour Pressure: 8.09E-05 mmHg at 25°C.

Production method of this chemical: The 1,2,4-Oxadiazole,5-methyl-3-(5-nitro-2-furanyl)- could be obtained by the reactants of N-hydroxy-5-nitro-furan-2-carboximidic acid amide and acetonitrile. This reaction needs the reagent of HCl-gas, and the catalyst of ZnCl₂. The yield is 88 %. In addition, this reaction should be taken for 1.5 hours with the heating.

You can still convert the following datas into molecular structure:  
1.SMILES: [O-][N+](=O)c2oc(c1nc(on1)C)cc2
2.InChI: InChI=1/C7H5N3O4/c1-4-8-7(9-14-4)5-2-3-6(13-5)10(11)12/h2-3H,1H3
3.InChIKey: YLMXXNURLLFSTQ-UHFFFAOYAQ