2-(3-(6-isopropoxypyridin-2-yl)-1H-indol-5-yl)-5-methyl-1,3,4-oxadiazole
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Basic information
- Standard SMILES
Cc1nnc(-c2ccc3[nH]cc(-c4cccc(OC(C)C)n4)c3c2)o1- InChIKey
RLFQVKISFLTJNU-UHFFFAOYSA-N- Molecular formula
- C19H18N4O2
- Average molar mass
- 334.4 g/mol
- Monoisotopic mass
- 334.14297583
Names & identifiers
- Preferred name
- 2-(3-(6-isopropoxypyridin-2-yl)-1H-indol-5-yl)-5-methyl-1,3,4-oxadiazole
- IUPAC
- 2-methyl-5-[3-(6-propan-2-yloxy-2-pyridinyl)-1H-indol-5-yl]-1,3,4-oxadiazole
Names & synonyms
CHEMBL3910838SCHEMBL12616223RLFQVKISFLTJNU-UHFFFAOYSA-NBDBM225073US9321756, 422-(3-(6-isopropoxypyridin-2-yl)-1H-indol-5-yl)-5-methyl-1,3,4-oxadiazole
Database identifiers
- PubChem CID
- 68328752
- ChEMBL
CHEMBL3910838
Properties
Computed structural propertiesFilling in
- XLogP
- 3.6
- Topological polar surface area
- 76.8 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 449
Related reactions
1 records
Compound notes
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