Basic information
- Standard SMILES
COC(=O)c1ccc(-c2nc(CSC(C)=O)c(C)o2)cc1- InChIKey
YJDHBRXCCKQBRL-UHFFFAOYSA-N- Molecular formula
- C15H15NO4S
- Average molar mass
- 305.4 g/mol
Names & identifiers
- Preferred name
- Methyl 4-[4-[(acetylsulfanyl)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
- IUPAC
- methyl 4-[4-(acetylsulfanylmethyl)-5-methyl-1,3-oxazol-2-yl]benzoate
Names & synonyms
SCHEMBL12468892YJDHBRXCCKQBRL-UHFFFAOYSA-Nmethyl 4-[4-[(acetylsulfanyl)methyl]-5-methyl-1,3-oxazol-2-yl]benzoate
Database identifiers
- PubChem CID
- 86709133
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 94.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 6
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 382
Related reactions
8 records
Compound notes
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