Basic information
- Standard SMILES
COC(=O)C(Br)Cc1ccc(OCCc2nc(-c3ccccc3)oc2C)nc1- InChIKey
BKZZTAUMYNXSNW-UHFFFAOYSA-N- Molecular formula
- C21H21BrN2O4
- Average molar mass
- 445.3 g/mol
Names & identifiers
- Preferred name
- 2-Bromo-3-[2-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-5-pyridyl]propionic acid methyl ester
- IUPAC
- methyl 2-bromo-3-[6-[2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethoxy]-3-pyridinyl]propanoate
Names & synonyms
2-bromo-3-[2-[2-(5-methyl-2-phenyl-4-oxazolyl)ethoxy]-5-pyridyl]propionic acid methyl ester2-bromo-3-[2-[2-(5-methyl-2-phenyl-4-oxazolyl]ethoxy]-5-pyridyl]propionic acid methyl esterSCHEMBL8126485BKZZTAUMYNXSNW-UHFFFAOYSA-N
Database identifiers
- PubChem CID
- 53687683
Properties
Computed structural properties
- XLogP
- 4.6
- Topological polar surface area
- 74.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 9
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 489
Related reactions
3 records
Compound notes
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