Basic information
- CAS
33161-88-5- Standard SMILES
CN1CCN(Cc2nc(-c3ccccc3)c(-c3ccccc3)o2)CC1- InChIKey
BNDMBTLTLIEVKV-UHFFFAOYSA-N- Molecular formula
- C21H23N3O
- Average molar mass
- 333.4 g/mol
- Monoisotopic mass
- 333.18411237
Names & identifiers
- Preferred name
- Piperazine, 1-((4,5-diphenyl-2-oxazolyl)methyl)-4-methyl-
- IUPAC
- 2-[(4-methylpiperazin-1-yl)methyl]-4,5-diphenyl-1,3-oxazole
- English name
- 1-[(4,5-Diphenyl-2-oxazolyl)methyl]-4-methylpiperazine
- Molecular formula
- C21H23N3O
- Molecular weight
- 333.43
Names & synonyms
33161-88-5BRN 1224843Piperazine, 1-((4,5-diphenyl-2-oxazolyl)methyl)-4-methyl-1-((4,5-Diphenyl-2-oxazolyl)methyl)-4-methylpiperazineDTXSID00186818RefChem:371795DTXCID401093092-((4-methylpiperazin-1-yl)methyl)-4,5-diphenyloxazole1-[(4,5-diphenyl-1,3-oxazol-2-yl)methyl]-4-methylpiperazineSCHEMBL117169521-[(4,5-Diphenyl-2-oxazolyl)methyl]-4-methylpiperazinePiperazine, 1-[(4,5-diphenyl-2-oxazolyl)methyl]-4-methyl-
Database identifiers
- CAS
33161-88-5- PubChem CID
- 214432
- DTXSID
DTXSID00186818- Nikkaji
- J117.836I
Properties
Computed structural properties
- XLogP
- 3.3
- Topological polar surface area
- 32.5 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 4
- Heavy atoms
- 25
- Formal charge
- 0
- Complexity
- 398
Physicochemical properties
- Boiling point
- 455.1 · 455.1±45.0 °C(Predicted)
- Density
- 1.136 · 1.136±0.06 g/cm3(Predicted)
- pka
- 7.45 · 7.45±0.10(Predicted)
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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