Basic information
- CAS
53555-71-8- Standard SMILES
CCCC1C2C(=O)N(c3ccccc3)C(=O)C2ON1c1ccccc1- InChIKey
GIMFMMZYZOBIBJ-UHFFFAOYSA-N- Molecular formula
- C20H20N2O3
- Average molar mass
- 336.4 g/mol
- Monoisotopic mass
- 336.1473925
Names & identifiers
- Preferred name
- 2,5-Diphenyl-3-propyl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione
- IUPAC
- 2,5-diphenyl-3-propyl-3a,6a-dihydro-3H-pyrrolo[3,4-d][1,2]oxazole-4,6-dione
Names & synonyms
53555-71-8NSC106264NSC 1062642,5-Diphenyl-3-propyldihydro-2H-pyrrolo(3,4-d)isoxazole-4,6(3H,5H)-dione2,5-diphenyl-3-propyldihydro-2H-pyrrolo[3,4-d][1,2]oxazole-4,6(3H,5H)-dione2,5-Diphenyl-3-propyl-tetrahydro-pyrrolo[3,4-d]isoxazole-4,6-dione2,5-Diphenyl-3-propyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(3H,5H)-dioneOprea1_698758MLS000556383CHEMBL1517988DTXSID70968320HMS2384K19
Show more names
STK602338AKOS004902983NSC-106264NCGC00246317-01SMR0001477002,5-diphenyl-3-propyl-3a,6a-dihydro-3H-pyrrolo[3,4-d]isoxazole-4,6-dione2,5-diphenyl-3-propyldihydro-2H-pyrrolo[3,4-d]isoxazole-4,6(5H,6aH)-dione
Database identifiers
- CAS
53555-71-8- PubChem CID
- 267147
- DTXSID
DTXSID70968320- ChEMBL
CHEMBL1517988
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 49.9 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 511
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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