Basic information
- Standard SMILES
CCOC(=O)c1cc(C(=O)NC2CC2)on1- InChIKey
NZRXZHTXCKMHQA-UHFFFAOYSA-N- Molecular formula
- C10H12N2O4
- Average molar mass
- 224.21 g/mol
- Monoisotopic mass
- 224.07970687
Names & identifiers
- Preferred name
- Ethyl 5-(cyclopropylcarbamoyl)isoxazole-3-carboxylate
- IUPAC
- ethyl 5-(cyclopropylcarbamoyl)-1,2-oxazole-3-carboxylate
Names & synonyms
Ethyl 5-(cyclopropylcarbamoyl)isoxazole-3-carboxylateSCHEMBL13731753NZRXZHTXCKMHQA-UHFFFAOYSA-N1403333-78-7DB-124909
Database identifiers
- PubChem CID
- 70980010
Properties
Computed structural properties
- XLogP
- 1.1
- Topological polar surface area
- 81.4 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 16
- Formal charge
- 0
- Complexity
- 291
Related reactions
2 records
Compound notes
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