2-AMINO-OXAZOLE-5-CARBOXYLIC ACID ETHYL ESTER

The 5-Oxazolecarboxylicacid, 2-amino-, ethyl ester, with its CAS registry number 113853-16-0, has the IUPAC name of ethyl 2-amino-1,3-oxazole-5-carboxylate. And it has the molecular formula of C₆H₈N₂O₃ and the molecular weight of 156.14. Besides, this chemical belongs to the product categories which include Amines; Blocks; Carboxes; Oxazoles. In addition, it is irritant which may cause inflammation to the skin or other mucous membranes.

The characteristics of 5-Oxazolecarboxylicacid, 2-amino-, ethyl ester are as follows: (1)ACD/LogP: 0.33; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): 0.33; (4)ACD/LogD (pH 7.4): 0.33; (5)ACD/BCF (pH 5.5): 1.05; (6)ACD/BCF (pH 7.4): 1.05; (7)ACD/KOC (pH 5.5): 35.92; (8)ACD/KOC (pH 7.4): 35.97; (9)#H bond acceptors: 5; (10)#H bond donors: 2; (11)#Freely Rotating Bonds: 3; (12)Polar Surface Area: 55.57 Ų; (13)Index of Refraction: 1.522; (14)Molar Refractivity: 37.28 cm³; (15)Molar Volume: 122.1 cm³; (16)Polarizability: 14.78×10^-24cm³; (17)Surface Tension: 50.6 dyne/cm; (18)Density: 1.278 g/cm³; (19)Flash Point: 124.9 °C; (20)Enthalpy of Vaporization: 52.18 kJ/mol; (21)Boiling Point: 282.9 °C at 760 mmHg; (22)Vapour Pressure: 0.00326 mmHg at 25°C; (23)Exact Mass: 156.053492; (24)MonoIsotopic Mass: 156.053492; (25)Topological Polar Surface Area: 78.4; (26)Heavy Atom Count: 11; (27)Complexity: 151; (28)Covalently-Bonded Unit Count: 1; (29)Feature 3D Acceptor Count: 1; (30)Feature 3D Donor Count: 1; (31)Feature 3D Cation Count: 1; (32)Feature 3D Ring Count: 1.

What's more, the following datas could be converted into the molecular structure:
(1)Canonical SMILES: CCOC(=O)C1=CN=C(O1)N
(2)InChI: InChI=1S/C6H8N2O3/c1-2-10-5(9)4-3-8-6(7)11-4/h3H,2H2,1H3,(H2,7,8)
(3)InChIKey: UHUDJKCNXFBBHU-UHFFFAOYSA-N