Basic information
- CAS
70367-29-2- Standard SMILES
O=S(=O)(C1=NOC(c2ccccc2)C1)c1ccccc1- InChIKey
AYQVSWXJDHOKGU-UHFFFAOYSA-N- Molecular formula
- C15H13NO3S
- Average molar mass
- 287.3 g/mol
- Monoisotopic mass
- 287.06161445
Names & identifiers
- Preferred name
- 3-(Benzenesulfonyl)-5-phenyl-4,5-dihydro-1,2-oxazole
- IUPAC
- 3-(benzenesulfonyl)-5-phenyl-4,5-dihydro-1,2-oxazole
Names & synonyms
3-(benzenesulfonyl)-5-phenyl-4,5-dihydro-1,2-oxazole70367-29-2DTXSID50320104RefChem:275100DTXCID90271227NSC355077SCHEMBL12925172NSC-355077
Database identifiers
- CAS
70367-29-2- PubChem CID
- 337358
- DTXSID
DTXSID50320104- Nikkaji
- J2.241.156J
Properties
Computed structural properties
- XLogP
- 2.6
- Topological polar surface area
- 64.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 20
- Formal charge
- 0
- Complexity
- 454
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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