Basic information
- Standard SMILES
COC(=O)c1ccc2oc(-c3cccs3)nc2c1- InChIKey
REEFHSVEJCBLDS-UHFFFAOYSA-N- Molecular formula
- C13H9NO3S
- Average molar mass
- 259.28 g/mol
Names & identifiers
- Preferred name
- Methyl 2-(2-thienyl)-5-benzoxazolecarboxylate
- IUPAC
- methyl 2-thiophen-2-yl-1,3-benzoxazole-5-carboxylate
Names & synonyms
SCHEMBL5758901REEFHSVEJCBLDS-UHFFFAOYSA-Nmethyl 2-(2-thienyl)-5-benzoxazolecarboxylate
Database identifiers
- PubChem CID
- 22009751
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 80.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 3
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 325
Related reactions
2 records
Compound notes
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