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Basic information
- Standard SMILES
N#Cc1ccc(-c2cnc3c(c2)NCCO3)cc1- InChIKey
CDKPUQBOVQYKKA-UHFFFAOYSA-N- Molecular formula
- C14H11N3O
- Average molar mass
- 237.26 g/mol
Names & identifiers
- Preferred name
- 4-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]-benzonitrile
- IUPAC
- 4-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)benzonitrile
Names & synonyms
SCHEMBL1191411CDKPUQBOVQYKKA-UHFFFAOYSA-N4-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl]-benzonitrile
Database identifiers
- PubChem CID
- 66936780
Properties
Computed structural propertiesFilling in
- XLogP
- 2.3
- Topological polar surface area
- 57.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 1
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 329
Related reactions
1 records
Compound notes
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