Basic information
- Standard SMILES
Cc1onc(-c2ccccc2)c1COc1cc(C(=O)NC(C)C)on1- InChIKey
WRTHAARIVIGEDW-UHFFFAOYSA-N- Molecular formula
- C18H19N3O4
- Average molar mass
- 341.4 g/mol
- Monoisotopic mass
- 341.1375561
Names & identifiers
- Preferred name
- 3-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-isoxazole-5-carboxylic acid isopropylamide
- IUPAC
- 3-[(5-methyl-3-phenyl-1,2-oxazol-4-yl)methoxy]-N-propan-2-yl-1,2-oxazole-5-carboxamide
Names & synonyms
SCHEMBL2673342WRTHAARIVIGEDW-UHFFFAOYSA-N3-(5-Methyl-3-phenyl-isoxazol-4-ylmethoxy)-isoxazole-5-carboxylic acid isopropylamide
Database identifiers
- PubChem CID
- 46896886
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 90.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 442
Related reactions
2 records
Compound notes
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