Basic information
- Standard SMILES
c1ccc(-c2ncc(-c3c(-c4ccccn4)nn4c3CCC4)o2)cc1- InChIKey
HBYHABRKDDSVQQ-UHFFFAOYSA-N- Molecular formula
- C20H16N4O
- Average molar mass
- 328.4 g/mol
- Monoisotopic mass
- 328.13241115
Names & identifiers
- Preferred name
- 3-(2-Phenyl-oxazol-5-yl)-2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
- IUPAC
- 2-phenyl-5-(2-pyridin-2-yl-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl)-1,3-oxazole
Names & synonyms
SCHEMBL4824043HBYHABRKDDSVQQ-UHFFFAOYSA-N3-(2-Phenyl-oxazol-5-yl)-2-(pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazole
Database identifiers
- PubChem CID
- 9797489
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 56.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 3
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 455
Related reactions
2 records
Compound notes
Loading…