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
- Formal charge
- 0
- Complexity
- 535
Related reactions
6 records
Compound notes
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