Basic information
- Standard SMILES
CCOC(=O)C(Cc1ccc(OCc2nc(-c3ccc(C(C)(C)C)cc3)oc2C)cc1OCC)OCC- InChIKey
PDJGJHMEPMDODQ-UHFFFAOYSA-N- Molecular formula
- C30H39NO6
- Average molar mass
- 509.6 g/mol
- Monoisotopic mass
- 509.27773796
Names & identifiers
- Preferred name
- [Rac]-3-{4-[2-(4-tert-butyl-phenyl)-5-methyl-oxazol-4-ylmethoxy]-2-ethoxy-phenyl}-2-ethoxy-propionic acid ethyl ester
- IUPAC
- ethyl 3-[4-[[2-(4-tert-butylphenyl)-5-methyl-1,3-oxazol-4-yl]methoxy]-2-ethoxyphenyl]-2-ethoxypropanoate
Names & synonyms
SCHEMBL5015934PDJGJHMEPMDODQ-UHFFFAOYSA-N[rac]-3-{4-[2-(4-tert-butyl-phenyl)-5-methyl-oxazol-4-ylmethoxy]-2-ethoxy-phenyl}-2-ethoxy-propionic acid ethyl ester
Database identifiers
- PubChem CID
- 69279902
Properties
Computed structural properties
- XLogP
- 6.7
- Topological polar surface area
- 80 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 14
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 673
Related reactions
2 records
Compound notes
Loading…