Oxazole

The Oxazole is an organic compound with the formula C₃H₃NO. The IUPAC name of this chemical is 1,3-oxazole. With the CAS registry number 288-42-6, the product's categories are Oxazole & Isoxazole; Heterocyclic Compounds; Heterocycles; Building Blocks; Heterocyclic Building Blocks; Oxazoles.

Physical properties about Oxazole are: (1)ACD/LogP: 0.12; (2)ACD/LogD (pH 5.5): 0.12; (3)ACD/LogD (pH 7.4): 0.12; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 27.686; (7)ACD/KOC (pH 7.4): 27.687; (8)#H bond acceptors: 2; (9)Polar Surface Area: 26.03 Å²; (10)Index of Refraction: 1.422; (11)Molar Refractivity: 16.644 cm³; (12)Molar Volume: 65.452 cm³; (13)Polarizability: 6.598×10^-24cm³; (14)Surface Tension: 31.779 dyne/cm; (15)Density: 1.055 g/cm³; (16)Flash Point: 18.889 °C; (17)Enthalpy of Vaporization: 29.824 kJ/mol; (18)Boiling Point: 69.5 °C at 760 mmHg; (19)Vapour Pressure: 145.395 mmHg at 25°C.

Preparation: this chemical can be prepared by oxazole-4-carboxylic acid. This reaction will need reagent quinoline, CuO by heating. The reaction time is 90 min with reaction temperature of 80 °C. The yield is about 78%.

Uses of Oxazole: it can be used to produce 2,5-dimethyl-3-oxazol-5-yl-pyrazine at temperature of 150 °C. It will need reagent AcOK, Pd(PPh₃)₄ and solvent N,N-dimethyl-acetamide with reaction time of 6 hours. The yield is about 72%.

When you are using this chemical, please be cautious about it as the following:
It is highly flammable ang risk of serious damage to eyes. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin. When you are using it, wear suitable protective clothing and gloves, keep away from sources of ignition - No smoking. This material and its container must be disposed of as hazardous waste.

You can still convert the following datas into molecular structure:
(1)SMILES: c1cocn1
(2)InChI: InChI=1/C3H3NO/c1-2-5-3-4-1/h1-3H
(3)InChIKey: ZCQWOFVYLHDMMC-UHFFFAOYAD
(4)Std. InChI: InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H
(5)Std. InChIKey: ZCQWOFVYLHDMMC-UHFFFAOYSA-N