5-(4-bromophenyl)-3-(pyridin-3-yl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
Basic information
- CAS
4789-87-1- Standard SMILES
O=C1C2ON=C(c3cccnc3)C2C(=O)N1c1ccc(Br)cc1- InChIKey
AQJDONKHRHTKHS-UHFFFAOYSA-N- Molecular formula
- C16H10BrN3O3
- Average molar mass
- 372.17 g/mol
- Monoisotopic mass
- 370.99055
Names & identifiers
- Preferred name
- 5-(4-bromophenyl)-3-(pyridin-3-yl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione
- IUPAC
- 5-(4-bromophenyl)-3-pyridin-3-yl-3a,6a-dihydropyrrolo[3,4-d][1,2]oxazole-4,6-dione
Names & synonyms
5-(4-bromophenyl)-3-(pyridin-3-yl)-3aH-pyrrolo[3,4-d][1,2]oxazole-4,6(5H,6aH)-dione4789-87-1AC1NR8F4DTXSID00412200STL348328AKOS022138796
Database identifiers
- CAS
4789-87-1- PubChem CID
- 5236271
- DTXSID
DTXSID00412200
Properties
Computed structural properties
- XLogP
- 2.3
- Topological polar surface area
- 71.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 5
- Rotatable bonds
- 2
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 545
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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