Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]-
Basic information
- CAS
51529-72-7- Standard SMILES
N#Cc1ccc(C=C2N=C(c3ccccc3)OC2=O)cc1- InChIKey
TVAGPAAYXQKMPE-UHFFFAOYSA-N- Molecular formula
- C17H10N2O2
- Average molar mass
- 274.27 g/mol
- Monoisotopic mass
- 274.07422757
Names & identifiers
- Preferred name
- Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]-
- IUPAC
- 4-[(5-oxo-2-phenyl-1,3-oxazol-4-ylidene)methyl]benzonitrile
Names & synonyms
Benzonitrile, 4-[(5-oxo-2-phenyl-4(5H)-oxazolylidene)methyl]-51529-72-7SCHEMBL10614228DTXSID40385065AKOS0341577274-[(5-Oxo-2-phenyl-1,3-oxazol-4(5H)-ylidene)methyl]benzonitrile
Database identifiers
- CAS
51529-72-7- PubChem CID
- 2825916
- DTXSID
DTXSID40385065
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 62.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 2
- Heavy atoms
- 21
- Formal charge
- 0
- Complexity
- 512
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Compound notes
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