Basic information
- CAS
82211-65-2- Standard SMILES
CC(C(=O)c1ccc2c(c1)oc(=O)n2C)N1CCN(c2ccc(F)cc2)CC1- InChIKey
XURYNEOLLZZKGY-UHFFFAOYSA-N- Molecular formula
- C21H22FN3O3
- Average molar mass
- 383.4 g/mol
- Monoisotopic mass
- 383.16451973
Names & identifiers
- Preferred name
- 2-Benzoxazolinone, 6-(2-(4-(p-fluorophenyl)-1-piperazinyl)propionyl)-3-methyl-
- IUPAC
- 6-[2-[4-(4-fluorophenyl)piperazin-1-yl]propanoyl]-3-methyl-1,3-benzoxazol-2-one
- English name
- 2-BENZOXAZOLINONE, 6-(2-(4-(p-FLUOROPHENYL)-1-PIPERAZINYL)PROPIONYL)-3 -METHYL-
- Molecular weight
- 0
Names & synonyms
82211-65-2BRN 36332646-(2-(4-(4-Fluorophenyl)-1-piperazinyl)propionyl)-3-methylbenzoxazolinone6-(2-(4-(p-Fluorophenyl)-1-piperazinyl)propionyl)-3-methyl-2-benzoxazolinone2-BENZOXAZOLINONE, 6-(2-(4-(p-FLUOROPHENYL)-1-PIPERAZINYL)PROPIONYL)-3-METHYL-RefChem:256436DTXSID0010025606-{2-[4-(4-Fluorophenyl)-1-piperazinyl]propanoyl}-3-methyl-1,3-benzoxazol-2(3H)-one6-{2-[4-(4-Fluorophenyl)piperazin-1-yl]propanoyl}-3-methyl-1,3-benzoxazol-2(3H)-one2-BENZOXAZOLINONE, 6-(2-(4-(p-FLUOROPHENYL)-1-PIPERAZINYL)PROPIONYL)-3 -METHYL-
Database identifiers
- CAS
82211-65-2- PubChem CID
- 54838
- DTXSID
DTXSID001002560- Nikkaji
- J67.936D
Properties
Computed structural properties
- XLogP
- 3.2
- Topological polar surface area
- 53.1 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 587
Chemistry & industry
Suppliers1 total
HONEST JOY HOLDINGS LIMITED[email protected]
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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