Basic information
- Standard SMILES
CCOC(=O)c1nc(I)oc1-c1ccc(OC)cc1- InChIKey
JECLIYVCUJGCRA-UHFFFAOYSA-N- Molecular formula
- C13H12INO4
- Average molar mass
- 373.14 g/mol
Names & identifiers
- Preferred name
- Ethyl 2-iodo-5-(4-methoxyphenyl)oxazole-4-carboxylate
- IUPAC
- ethyl 2-iodo-5-(4-methoxyphenyl)-1,3-oxazole-4-carboxylate
Names & synonyms
SCHEMBL3119507JECLIYVCUJGCRA-UHFFFAOYSA-Nethyl 2-iodo-5-(4-methoxyphenyl)oxazole-4-carboxylate
Database identifiers
- PubChem CID
- 68518841
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 61.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 307
Related reactions
14 records
Compound notes
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