Oxazole (data page)

The complete data for Oxazole
200px The structure of Oxazole	General information 200px Chemical formula: C3H3NO  Molar mass: 69.06 g·mol−1 Systematic name: 1,3-oxazole Synonyms: none
Database data
SMILES: C1=COC=N1 InChI=1/C3H3NO/c1-2-5-3-4-1/h1-3H  ATC: N/A  CAS: 120-12-7  DrugBank: N/A  EINECS: 206-020-8  PubChem: 9255
Physical properties
Structure Crystal data Spectral data UV-Vis IR NMR MS Phase behavior Solid properties Tm: -87 - -84 °C Liquid properties ρliquid: 1.050 g.cm−3 Tb: 69 - 70 °C Gas properties
Hazard properties
MSDS N/A Main hazards: - N/A NFPA 704 Flash point - N/A R/S statement R: N/A S: N/A RTECS number: N/A
Chemical properties
XLogP: -0.123 pI: pKa: 0.8 (of conjugate acid) Tautomers: Hydrogen bond: donor - 0 ;  acceptor - 2
Pharmacological properties
Except where noted otherwise, data are given for materials in their standard state (at 25 °C, 100 kPa)

References

1. ^a
2. ^b
3. ^c
4. ^d
5. ^e
6. ^f
7. ^g
8. ^h Zoltewicz, J. A. & Deady, L. W. Quaternization of heteroaromatic compounds. Quantitative aspects. Adv. Heterocycl. Chem. 22, 71-121 (1978).

CID 9255 from PubChem