Basic information
- Standard SMILES
CCN(CC)c1nc2c(C#N)c(C)c(-c3ccccc3)c(F)c2o1- InChIKey
IEPVTIVXBPZRNQ-UHFFFAOYSA-N- Molecular formula
- C19H18FN3O
- Average molar mass
- 323.4 g/mol
Names & identifiers
- Preferred name
- 2-(Diethylamino)-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
- IUPAC
- 2-(diethylamino)-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
Names & synonyms
SCHEMBL3294396IEPVTIVXBPZRNQ-UHFFFAOYSA-N2-(Diethylamino)-7-fluoro-5-methyl-6-phenyl-1,3-benzoxazole-4-carbonitrile
Database identifiers
- PubChem CID
- 68584672
Properties
Computed structural properties
- XLogP
- 4.8
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 468
Related reactions
3 records
Compound notes
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