Basic information
- Standard SMILES
COC(=O)c1cccc2oc(N3CCSCC3)nc12- InChIKey
HPZAZRRWLHZDDK-UHFFFAOYSA-N- Molecular formula
- C13H14N2O3S
- Average molar mass
- 278.33 g/mol
- Monoisotopic mass
- 278.07251349
Names & identifiers
- Preferred name
- Methyl 2-thiomorpholinobenzoxazole-4-carboxylate
- IUPAC
- methyl 2-thiomorpholin-4-yl-1,3-benzoxazole-4-carboxylate
Names & synonyms
SCHEMBL1005890HPZAZRRWLHZDDK-UHFFFAOYSA-Nmethyl 2-thiomorpholinobenzoxazole-4-carboxylate
Database identifiers
- PubChem CID
- 66874243
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 80.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 3
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 336
Related reactions
2 records
Compound notes
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