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Basic information
- Standard SMILES
CC(C)=CN=Cc1nc(Cc2ccccc2)oc1O.O=C(O)C(F)(F)F- InChIKey
GCFJQIGJZWORLA-UHFFFAOYSA-N- Molecular formula
- C17H17F3N2O4
- Average molar mass
- 370.32 g/mol
- Monoisotopic mass
- 370.11404151
Names & identifiers
- Preferred name
- 2-Benzyl-4-(2-methylprop-1-enyliminomethyl)-1,3-oxazol-5-ol;2,2,2-trifluoroacetic acid
- IUPAC
- 2-benzyl-4-(2-methylprop-1-enyliminomethyl)-1,3-oxazol-5-ol;2,2,2-trifluoroacetic acid
Names & synonyms
NSC620027NSC-620027(4Z)-2-benzyl-4-[(2-methylprop-1-enylamino)methylene]oxazol-5-one; 2,2,2-trifluoroacetic acid(4Z)-2-Benzyl-4-{[(2-methylprop-1-en-1-yl)amino]methylene}-1,3-oxazol-5(4H)-one trifluoroacetate
Database identifiers
- PubChem CID
- 359282
Properties
Computed structural propertiesFilling in
- Topological polar surface area
- 95.9 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 9
- Rotatable bonds
- 4
- Heavy atoms
- 26
- Formal charge
- 0
- Complexity
- 414
Related reactions
0 records
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Compound notes
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