Basic information
- CAS
663928-85-6- Standard SMILES
N#Cc1ccc(Cn2c(=O)oc3ccccc32)cc1- InChIKey
JPERFYIZBYRGEY-UHFFFAOYSA-N- Molecular formula
- C15H10N2O2
- Average molar mass
- 250.25 g/mol
- Monoisotopic mass
- 250.07422757
Names & identifiers
- Preferred name
- 4-[(2-Oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
- IUPAC
- 4-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrile
Names & synonyms
4-[(2-oxo-1,3-benzoxazol-3(2H)-yl)methyl]benzonitrile4-[(2-oxo-1,3-benzoxazol-3-yl)methyl]benzonitrileMLS001196784CHEMBL1900979DTXSID701327541HMS2883J07STK743321AKOS000195410663928-85-6SMR000555892ST090442EU-0043861
Show more names
SR-01000104060SR-01000104060-1Z154002504-[(2-oxo-3-hydrobenzoxazol-3-yl)methyl]benzenecarbonitrile
Database identifiers
- CAS
663928-85-6- PubChem CID
- 709490
- DTXSID
DTXSID701327541- ChEMBL
CHEMBL1900979
Properties
Computed structural properties
- XLogP
- 2.5
- Topological polar surface area
- 53.3 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 19
- Formal charge
- 0
- Complexity
- 392
Experimental & physicochemical properties
Solubility6 [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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