5'-(1,3-Benzoxazol-2-yl)-2'-(cyanomethyl)-1,1'-biphenyl-3-carbonitrile

HCID 10193442
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Basic information

Standard SMILES
N#CCc1ccc(-c2nc3ccccc3o2)cc1-c1cccc(C#N)c1
InChIKey
KQQVLQOTMHBQQI-UHFFFAOYSA-N
Molecular formula
C22H13N3O
Average molar mass
335.4 g/mol

Names & identifiers

Preferred name
5'-(1,3-Benzoxazol-2-yl)-2'-(cyanomethyl)-1,1'-biphenyl-3-carbonitrile
IUPAC
3-[5-(1,3-benzoxazol-2-yl)-2-(cyanomethyl)phenyl]benzonitrile

Names & synonyms

SCHEMBL5831883KQQVLQOTMHBQQI-UHFFFAOYSA-N5'-(1,3-benzoxazol-2-yl)-2'-(cyanomethyl)-1,1'-biphenyl-3-carbonitrile

Database identifiers

PubChem CID
10193442

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
73.6 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
4
Rotatable bonds
3
Heavy atoms
26

Related reactions

2 records
New reaction record

Linked notes

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