Basic information
- Standard SMILES
COC(=O)C(NC(=O)c1cc(-c2ccc(OCc3ccc(F)cc3)cc2)no1)C(C)C- InChIKey
SDYGOJSSOGRRAC-UHFFFAOYSA-N- Molecular formula
- C23H23FN2O5
- Average molar mass
- 426.4 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(3-(4-(4-fluorobenzyloxy)phenyl)isoxazole-5-carboxamido)-3-methylbutanoate
- IUPAC
- methyl 2-[[3-[4-[(4-fluorophenyl)methoxy]phenyl]-1,2-oxazole-5-carbonyl]amino]-3-methylbutanoate
Names & synonyms
SCHEMBL2295645SDYGOJSSOGRRAC-UHFFFAOYSA-NMethyl 2-(3-(4-(4-fluorobenzyloxy)phenyl)isoxazole-5-carboxamido)-3-methylbutanoate
Database identifiers
- PubChem CID
- 67353023
Properties
Computed structural properties
- XLogP
- 4.5
- Topological polar surface area
- 90.7 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 9
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 589
Related reactions
1 records
Compound notes
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