5-[3-(1H-indazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[(1-methylethyl)oxy]benzonitrile

HCID 53247367

Basic information

Standard SMILES
CC(C)Oc1ccc(-c2nc(-c3ccc4[nH]ncc4c3)no2)cc1C#N
InChIKey
CRHRYBVJIMPDEA-UHFFFAOYSA-N
Molecular formula
C19H15N5O2
Average molar mass
345.4 g/mol

Names & identifiers

Preferred name
5-[3-(1H-indazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[(1-methylethyl)oxy]benzonitrile
IUPAC
5-[3-(1H-indazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile

Names & synonyms

SCHEMBL1398509CRHRYBVJIMPDEA-UHFFFAOYSA-NDB-1389525-(3-(1H-indazol-5-yl)-1,2,4-oxadiazol-5-yl)-2-isopropoxybenzonitrile5-[3-(1H-indazol-5-yl)-1,2,4-oxadiazol-5-yl]-2-[(1-methylethyl)oxy]benzonitrile1072947-68-2

Database identifiers

PubChem CID
53247367

Properties

Computed structural properties

XLogP
3.6
Topological polar surface area
101 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
6
Rotatable bonds
4
Heavy atoms
26

Related reactions

6 records

Compound notes

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