(5-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl 4-methylbenzenesulfonate
Basic information
- CAS
7462-52-4- Standard SMILES
Cc1ccc(S(=O)(=O)OCC2N=C(c3ccccc3)OC2C)cc1- InChIKey
GOJBJDNOKQXAIQ-UHFFFAOYSA-N- Molecular formula
- C18H19NO4S
- Average molar mass
- 345.4 g/mol
- Monoisotopic mass
- 345.10347926
Names & identifiers
- Preferred name
- (5-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl 4-methylbenzenesulfonate
- IUPAC
- (5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl 4-methylbenzenesulfonate
Names & synonyms
7462-52-4(5-methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl 4-methylbenzenesulfonateNSC402127DTXSID30322828NSC-402127(5-Methyl-2-phenyl-4,5-dihydro-1,3-oxazol-4-yl)methyl 4-methylbenzene-1-sulfonate
Database identifiers
- CAS
7462-52-4- PubChem CID
- 344948
- DTXSID
DTXSID30322828
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 73.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 5
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 540
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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