2-Cyclopropyl-6-(2,3-difluorophenyl)-7-fluoro-5-methyl-1,3-benzoxazole-4-carbonitrile

HCID 68586992
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Basic information

Standard SMILES
Cc1c(-c2cccc(F)c2F)c(F)c2oc(C3CC3)nc2c1C#N
InChIKey
ZMQXAWKFUQZHDI-UHFFFAOYSA-N
Molecular formula
C18H11F3N2O
Average molar mass
328.3 g/mol

Names & identifiers

Preferred name
2-Cyclopropyl-6-(2,3-difluorophenyl)-7-fluoro-5-methyl-1,3-benzoxazole-4-carbonitrile
IUPAC
2-cyclopropyl-6-(2,3-difluorophenyl)-7-fluoro-5-methyl-1,3-benzoxazole-4-carbonitrile

Names & synonyms

SCHEMBL3300770ZMQXAWKFUQZHDI-UHFFFAOYSA-N2-cyclopropyl-6-(2,3-difluorophenyl)-7-fluoro-5-methyl-1,3-benzoxazole-4-carbonitrile

Database identifiers

PubChem CID
68586992

Properties

Computed structural properties

XLogP
4.4
Topological polar surface area
49.8 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
6
Rotatable bonds
2
Heavy atoms
24

Related reactions

3 records
New reaction record

Linked notes

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