Basic information
- CAS
63954-97-2- Standard SMILES
O=c1o[nH]c(-c2ccccc2)c1-c1ccccc1- InChIKey
KZWBGELYVCMLRK-UHFFFAOYSA-N- Molecular formula
- C15H11NO2
- Average molar mass
- 237.25 g/mol
- Monoisotopic mass
- 237.07897859
Names & identifiers
- Preferred name
- 3,4-diphenyl-5(2H)-isoxazolone
- IUPAC
- 3,4-diphenyl-2H-1,2-oxazol-5-one
Names & synonyms
63954-97-23,4-diphenyl-5(2H)-isoxazoloneDTXSID20301425RefChem:271243DTXCID702525595-Isoxazolol,3,4-diphenyl-3,4-Diphenylisoxazol-5-ol3,4-diphenyl-2H-1,2-oxazol-5-one3,4-diphenyl-1,2-oxazol-5(2h)-oneNSC143302Oprea1_493069MLS001178396
Show more names
SCHEMBL2267582CHEMBL1555398HMS2805M19NSC-143302SMR000476581AK-830/13217194
Database identifiers
- CAS
63954-97-2- PubChem CID
- 285779
- DTXSID
DTXSID20301425- ChEMBL
CHEMBL1555398- Nikkaji
- J881.303E
Properties
Computed structural properties
- XLogP
- 3.6
- Topological polar surface area
- 38.3 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 350
Experimental & physicochemical properties
Solubility35 [ug/mL] (The mean of the results at pH 7.4)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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