Basic information
- Standard SMILES
COc1ccc(-c2nc(COS(C)(=O)=O)c(COC3CCCCO3)o2)cc1- InChIKey
KAQYLLSFMYLZTQ-UHFFFAOYSA-N- Molecular formula
- C18H23NO7S
- Average molar mass
- 397.4 g/mol
Names & identifiers
- Preferred name
- Methanesulfonic acid 2-(4-methoxy-phenyl)-5-(tetrahydro-pyran-2-yloxymethyl)-oxazol-4-ylmethyl ester
- IUPAC
- [2-(4-methoxyphenyl)-5-(oxan-2-yloxymethyl)-1,3-oxazol-4-yl]methyl methanesulfonate
Names & synonyms
SCHEMBL3534072KAQYLLSFMYLZTQ-UHFFFAOYSA-Nmethanesulfonic acid 2-(4-methoxy-phenyl)-5-(tetrahydro-pyran-2-yloxymethyl)-oxazol-4-ylmethyl ester
Database identifiers
- PubChem CID
- 59296172
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 105 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 8
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 544
Related reactions
3 records
Compound notes
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