3-(2-Cyano-4-{2-[5-methyl-2-(4-phenoxyphenyl)oxazol-4-yl]ethoxy}phenyl)propionic acid ethyl ester
Basic information
- Standard SMILES
CCOC(=O)CCc1ccc(OCCc2nc(-c3ccc(Oc4ccccc4)cc3)oc2C)cc1C#N- InChIKey
QLMDNOUXFHMCHU-UHFFFAOYSA-N- Molecular formula
- C30H28N2O5
- Average molar mass
- 496.6 g/mol
- Monoisotopic mass
- 496.199822
Names & identifiers
- Preferred name
- 3-(2-Cyano-4-{2-[5-methyl-2-(4-phenoxyphenyl)oxazol-4-yl]ethoxy}phenyl)propionic acid ethyl ester
- IUPAC
- ethyl 3-[2-cyano-4-[2-[5-methyl-2-(4-phenoxyphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]propanoate
Names & synonyms
SCHEMBL4894542QLMDNOUXFHMCHU-UHFFFAOYSA-N3-(2-cyano-4-{2-[5-methyl-2-(4-phenoxyphenyl)oxazol-4-yl]ethoxy}phenyl) propionic acid ethyl ester3-(2-cyano-4-{2-[5-methyl-2-(4-phenoxyphenyl)oxazol-4-yl]ethoxy}phenyl)propionic acid ethyl ester
Database identifiers
- PubChem CID
- 69232172
Properties
Computed structural properties
- XLogP
- 6.1
- Topological polar surface area
- 94.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 12
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 739
Related reactions
2 records
Compound notes
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