Basic information
- Standard SMILES
COC(=O)COc1ccc(CCc2nc(-c3ccccc3)c(-c3ccccc3)o2)cc1- InChIKey
QPFKGXMZTKQMNA-UHFFFAOYSA-N- Molecular formula
- C26H23NO4
- Average molar mass
- 413.5 g/mol
- Monoisotopic mass
- 413.16270821
Names & identifiers
- Preferred name
- Methyl 2-[4-[2-(4,5-diphenyl-2-oxazolyl)ethyl]phenoxy]acetate
- IUPAC
- methyl 2-[4-[2-(4,5-diphenyl-1,3-oxazol-2-yl)ethyl]phenoxy]acetate
Names & synonyms
SCHEMBL9452940QPFKGXMZTKQMNA-UHFFFAOYSA-Nmethyl 2-[4-[2-(4,5-diphenyl-2oxazolyl]ethyl]phenoxy]acetatemethyl 2-[4-[2-(4,5-diphenyl-2-oxazolyl)ethyl]phenoxy]acetate
Database identifiers
- PubChem CID
- 19783610
Properties
Computed structural properties
- XLogP
- 5.8
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 536
Related reactions
4 records
Compound notes
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