Basic information
- Standard SMILES
CCOC(=O)c1cc(-c2ccc(NC(=O)Nc3ccccc3)cc2)no1- InChIKey
SWTACPGQHFFWJO-UHFFFAOYSA-N- Molecular formula
- C19H17N3O4
- Average molar mass
- 351.4 g/mol
Names & identifiers
- Preferred name
- 3-[4-(3-Phenyl-ureido)-phenyl]-isoxazole-5-carboxylic acid ethyl ester
- IUPAC
- ethyl 3-[4-(phenylcarbamoylamino)phenyl]-1,2-oxazole-5-carboxylate
Names & synonyms
SCHEMBL2293812SWTACPGQHFFWJO-UHFFFAOYSA-N3-[4-(3-phenyl-ureido)-phenyl]-isoxazole-5-carboxylic acid ethyl ester
Database identifiers
- PubChem CID
- 67352240
Properties
Computed structural properties
- XLogP
- 3.1
- Topological polar surface area
- 93.5 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 6
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 473
Related reactions
2 records
Compound notes
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