5'-(1,3-Benzoxazol-2-yl)-2'-methyl-1,1'-biphenyl-3-carbonitrile
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Basic information
- Standard SMILES
Cc1ccc(-c2nc3ccccc3o2)cc1-c1cccc(C#N)c1- InChIKey
JOQCZICFQXZMEH-UHFFFAOYSA-N- Molecular formula
- C21H14N2O
- Average molar mass
- 310.3 g/mol
Names & identifiers
- Preferred name
- 5'-(1,3-Benzoxazol-2-yl)-2'-methyl-1,1'-biphenyl-3-carbonitrile
- IUPAC
- 3-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]benzonitrile
Names & synonyms
SCHEMBL5831891JOQCZICFQXZMEH-UHFFFAOYSA-N5'-(1,3-benzoxazol-2-yl)-2'-methyl-1,1'-biphenyl-3-carbonitrile
Database identifiers
- PubChem CID
- 21990975
Properties
Computed structural propertiesFilling in
- XLogP
- 5.1
- Topological polar surface area
- 49.8 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 3
- Rotatable bonds
- 2
- Heavy atoms
- 24
- Formal charge
- 0
- Complexity
- 483
Related reactions
3 records
Compound notes
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