Basic Information | Post buying leads | Suppliers | Cas Database |
Name |
5-Methyloxazole-3-carboxamide |
EINECS | 222-361-5 |
CAS No. | 3445-52-1 | Density | 1.255 g/cm3 |
PSA | 69.12000 | LogP | 0.78220 |
Solubility | N/A | Melting Point |
166-168℃ (water ) |
Formula | C5H6N2O2 | Boiling Point | 292.1 °C at 760 mmHg |
Molecular Weight | 126.115 | Flash Point | 130.4 °C |
Transport Information | N/A | Appearance | N/A |
Safety | 26-36/37/39 | Risk Codes | 36/37/38 |
Molecular Structure | Hazard Symbols | N/A | |
Synonyms |
3-Carbamoyl-5-methylisoxazole;5-Methylisoxazole-3-carboxamide; |
Article Data | 7 |
The 5-Methyloxazole-3-carboxamide, with the CAS registry number 3445-52-1, is also known as 3-Carbamoyl-5-methylisoxazole. Its EINECS number is 222-361-5. This chemical's molecular formula is C5H6N2O2 and molecular weight is 126.11. What's more, its systematic name is 5-methyl-1,2-oxazole-3-carboxamide.
Physical properties of 5-Methyloxazole-3-carboxamide are: (1)ACD/LogP: -0.94; (2)# of Rule of 5 Violations: 0; (3)ACD/LogD (pH 5.5): -0.94; (4)ACD/BCF (pH 5.5): 1; (5)ACD/KOC (pH 5.5): 7.36; (6)#H bond acceptors: 4; (7)#H bond donors: 2; (8)#Freely Rotating Bonds: 1; (9)Polar Surface Area: 46.34 Å2; (10)Index of Refraction: 1.517; (11)Molar Refractivity: 30.39 cm3; (12)Molar Volume: 100.4 cm3; (13)Surface Tension: 50.3 dyne/cm; (14)Density: 1.255 g/cm3; (15)Flash Point: 130.4 °C; (16)Enthalpy of Vaporization: 53.16 kJ/mol; (17)Boiling Point: 292.1 °C at 760 mmHg; (18)Vapour Pressure: 0.00187 mmHg at 25°C.
You can still convert the following datas into molecular structure:
(1)Canonical SMILES: CC1=CC(=NO1)C(=O)N
(2)InChI: InChI=1S/C5H6N2O2/c1-3-2-4(5(6)8)7-9-3/h2H,1H3,(H2,6,8)
(3)InChIKey: KBOSIRPMGVGOEP-UHFFFAOYSA-N