Basic information
- CAS
53644-91-0- Standard SMILES
COc1cc(/C=C/C2=NC(C)(C)CO2)cc(OC)c1OC- InChIKey
QJPDNRMPEKONFW-VOTSOKGWSA-N- Molecular formula
- C16H21NO4
- Average molar mass
- 291.34 g/mol
- Monoisotopic mass
- 291.14705815
Names & identifiers
- Preferred name
- Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-
- IUPAC
- 4,4-dimethyl-2-[(E)-2-(3,4,5-trimethoxyphenyl)ethenyl]-5H-1,3-oxazole
Names & synonyms
Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-53644-91-0RefChem:1094023P-17304,4-Dimethyl-2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-2-oxazoline4,4-Dimethyl-2-(2-(3,4,5-trimethoxyphenyl)ethenyl)-4,5-dihydrooxazoleSCHEMBL11809410
Database identifiers
- CAS
53644-91-0- PubChem CID
- 6445992
Properties
Computed structural properties
- XLogP
- 2.4
- Topological polar surface area
- 49.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 391
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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