4-Benzyl-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one
Basic information
- CAS
53995-36-1- Standard SMILES
O=C1COC(c2ccccc2O)=NN1Cc1ccccc1- InChIKey
YAJFDDAFXDWBGE-UHFFFAOYSA-N- Molecular formula
- C16H14N2O3
- Average molar mass
- 282.29 g/mol
- Monoisotopic mass
- 282.10044231
Names & identifiers
- Preferred name
- 4-Benzyl-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-one
- IUPAC
- 4-benzyl-2-(2-hydroxyphenyl)-1,3,4-oxadiazin-5-one
Names & synonyms
53995-36-14-Benzyl-2-(2-hydroxyphenyl)-4H-1,3,4-oxadiazin-5(6H)-oneNSC296334NSC 296334NSC-296334GV76UY7DRRDTXSID009688134-benzyl-2-(2-hydroxyphenyl)-1,3,4-oxadiazin-5-one2-(2-Hydroxyphenyl)-4-(phenylmethyl)-4H-1,3,4-oxadiazin-5(6H)-one4H-1,3,4-Oxadiazin-5(6H)-one, 2-(2-hydroxyphenyl)-4-(phenylmethyl)-
Database identifiers
- CAS
53995-36-1- PubChem CID
- 326153
- DTXSID
DTXSID00968813- UNII
- GV76UY7DRR
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 62.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 404
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Compound notes
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