2-Methyl-2-[3-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-phenyl]-propionic acid
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Basic information
- Standard SMILES
Cc1oc(-c2ccccc2)nc1COc1cccc(C(C)(C)C(=O)O)c1- InChIKey
IRNBUBPJKDTWAS-UHFFFAOYSA-N- Molecular formula
- C21H21NO4
- Average molar mass
- 351.4 g/mol
- Monoisotopic mass
- 351.14705815
Names & identifiers
- Preferred name
- 2-Methyl-2-[3-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-phenyl]-propionic acid
- IUPAC
- 2-methyl-2-[3-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid
Names & synonyms
SCHEMBL3522579IRNBUBPJKDTWAS-UHFFFAOYSA-N2-methyl-2-[3-(5-methyl-2-phenyl-oxazol-4-ylmethoxy)-phenyl]-propionic acid
Database identifiers
- PubChem CID
- 68675673
Properties
Computed structural propertiesFilling in
- XLogP
- 4.3
- Topological polar surface area
- 72.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 475
Related reactions
4 records
Compound notes
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