4,5-Dimethyl-6-phenyl-5,6-dihydro-4H-1,3,4-oxadiazin-2-ol
Basic information
- CAS
16638-85-0- Standard SMILES
C[C@@H]1[C@H](c2ccccc2)OC(=O)NN1C- InChIKey
UXVSYSJHNUGVCD-PSASIEDQSA-N- Molecular formula
- C11H14N2O2
- Average molar mass
- 206.24 g/mol
- Monoisotopic mass
- 206.10552769
Names & identifiers
- Preferred name
- 4,5-Dimethyl-6-phenyl-5,6-dihydro-4H-1,3,4-oxadiazin-2-ol
- IUPAC
- (5R,6S)-4,5-dimethyl-6-phenyl-1,3,4-oxadiazinan-2-one
Names & synonyms
16638-85-0DTXSID509371904,5-Dimethyl-6-phenyl-5,6-dihydro-4H-1,3,4-oxadiazin-2-olRefChem:1069405DTXCID501365767BRN 05225342H-1,3,4-Oxadiazin-2-one, tetrahydro-4,5-dimethyl-6-phenyl-, cis-(-)-cis-(-)-3,4,5,6-Tetrahydro-4,5-dimethyl-6-phenyl-2H-1,3,4-oxadiazin-2-one(5R,6S)-4,5-Dimethyl-6-phenyl-5,6-dihydro-4H-1,3,4-oxadiazin-2-ol
Database identifiers
- CAS
16638-85-0- PubChem CID
- 204577
- DTXSID
DTXSID50937190
Properties
Computed structural properties
- XLogP
- 1.9
- Topological polar surface area
- 41.6 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 1
- Heavy atoms
- 15
- Formal charge
- 0
- Complexity
- 239
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Compound notes
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