[2-(2-Thienyl)-4-oxazolyl]methyl 4-(methylsulfonyl)benzoate
Basic information
- CAS
1208739-09-6- Standard SMILES
CS(=O)(=O)c1ccc(C(=O)OCc2coc(-c3cccs3)n2)cc1- InChIKey
YSJIYLNXJHMMQK-UHFFFAOYSA-N- Molecular formula
- C16H13NO5S2
- Average molar mass
- 363.4 g/mol
- Monoisotopic mass
- 363.02351486
Names & identifiers
- Preferred name
- [2-(2-Thienyl)-4-oxazolyl]methyl 4-(methylsulfonyl)benzoate
- IUPAC
- (2-thiophen-2-yl-1,3-oxazol-4-yl)methyl 4-methylsulfonylbenzoate
Names & synonyms
[2-(2-Thienyl)-4-oxazolyl]methyl 4-(methylsulfonyl)benzoateDTXSID601188918AKOS0079406921208739-09-6Z17305035[2-(Thiophen-2-yl)-1,3-oxazol-4-yl]methyl 4-(methanesulfonyl)benzoate
Database identifiers
- CAS
1208739-09-6- PubChem CID
- 7744657
- DTXSID
DTXSID601188918
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 123 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 6
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 539
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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