3-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-methyl-2-m-tolyloxy-propionic acid
Basic information
- Standard SMILES
Cc1cccc(OC(C)(Cc2ccc(OCCc3nc(-c4ccc(-c5ccccc5)cc4)oc3C)cc2)C(=O)O)c1- InChIKey
NTPWLXYSCVDGHT-UHFFFAOYSA-N- Molecular formula
- C35H33NO5
- Average molar mass
- 547.6 g/mol
- Monoisotopic mass
- 547.23587315
Names & identifiers
- Preferred name
- 3-{4-[2-(2-Biphenyl-4-yl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-methyl-2-m-tolyloxy-propionic acid
- IUPAC
- 2-methyl-2-(3-methylphenoxy)-3-[4-[2-[5-methyl-2-(4-phenylphenyl)-1,3-oxazol-4-yl]ethoxy]phenyl]propanoic acid
Names & synonyms
SCHEMBL5206494NTPWLXYSCVDGHT-UHFFFAOYSA-N3-{4-[2-(2-biphenyl-4-yl-5-methyl-oxazol-4-yl)-ethoxy]-phenyl}-2-methyl-2-m-tolyloxy-propionic acid
Database identifiers
- PubChem CID
- 10280717
Properties
Computed structural properties
- XLogP
- 8.1
- Topological polar surface area
- 81.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 11
- Heavy atoms
- 41
- Formal charge
- 0
- Complexity
- 800
Related reactions
1 records
Compound notes
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