Completing data — refresh the page later to see the latest
Basic information
- Standard SMILES
CC(C)Oc1ccc(-c2nc(-c3ccc4[nH]c(CO)cc4c3)no2)cc1C#N- InChIKey
BLMILPZVURNMIW-UHFFFAOYSA-N- Molecular formula
- C21H18N4O3
- Average molar mass
- 374.4 g/mol
Names & identifiers
- Preferred name
- 5-{3-[2-(Hydroxymethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-5-yl}-2-[(1-methylethyl)oxy]benzonitrile
- IUPAC
- 5-[3-[2-(hydroxymethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-5-yl]-2-propan-2-yloxybenzonitrile
Names & synonyms
SCHEMBL1420583BLMILPZVURNMIW-UHFFFAOYSA-N5-{3-[2-(Hydroxymethyl)-1H-indol-5-yl]-1,2,4-oxadiazol-5-yl}-2-[(1-methylethyl)oxy]benzonitrile
Database identifiers
- PubChem CID
- 44547464
Properties
Computed structural propertiesFilling in
- XLogP
- 3.2
- Topological polar surface area
- 108 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 5
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 579
Related reactions
2 records
Compound notes
Loading…