Oxazole | SBID = 1761 | Compound |
Structure
Molecular Properties
| Interactions: | 3 | ||
| PubChem TPSA/Å2: | 26.0 | ||
| Ertl TPSA/Å2: | |||
| Hydrophilicity (PubChem XLogP): | 0.1 | ||
| Hydrophilicity (Cheng XLogP3): | |||
| Charge: | 0.0 | ||
| Number of H-Bond Donors: | 0.0 | ||
| Number of H-Bond Acceptors: | 2.0 | ||
| Number of Stereogenic Bonds (E/Z): | 0.0 | ||
| Number of Stereogenic Atoms (R/S): | 0.0 | ||
| 3D Volume/Å3: | 56.0 | ||
| Sum Formula: | C3H3NO | ||
| M / g/mol: | 69.06 | ||
| Complexity: | 30.0 | ||
| Number of Conformers: | 1.0 |
Identifiers
- Tags: aromatic, typical guest
- Name: Oxazole
- Preferred Abbreviation: Oxazole
- IUPAC Name: 1,3-oxazole
- CAS: 288-42-6
- CID: 9255
- InChiKey: ZCQWOFVYLHDMMC-UHFFFAOYSA-N
- InChi: InChI=1S/C3H3NO/c1-2-5-3-4-1/h1-3H
- CanoSmiles: C1=COC=N1
- IsoSmiles: C1=COC=N1
