Basic information
- CAS
120182-12-9- Standard SMILES
NC1=NCC(CN2CCN(c3cccc(C(F)(F)F)c3)CC2)O1- InChIKey
YTWIPINUWDJHFC-UHFFFAOYSA-N- Molecular formula
- C15H19F3N4O
- Average molar mass
- 328.33 g/mol
- Monoisotopic mass
- 328.15109573
Names & identifiers
- Preferred name
- 2-Oxazolamine, 4,5-dihydro-5-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-
- IUPAC
- 5-[[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methyl]-4,5-dihydro-1,3-oxazol-2-amine
Names & synonyms
4,5-Dihydro-5-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-2-oxazolamine120182-12-92-Oxazolamine, 4,5-dihydro-5-((4-(3-(trifluoromethyl)phenyl)-1-piperazinyl)methyl)-RefChem:264574DTXSID009232605-({4-[3-(TRIFLUOROMETHYL)PHENYL]PIPERAZIN-1-YL}METHYL)-4,5-DIHYDRO-1,3-OXAZOL-2-AMINE5-({4-[3-(Trifluoromethyl)phenyl]piperazin-1-yl}methyl)-1,3-oxazolidin-2-imine
Database identifiers
- CAS
120182-12-9- PubChem CID
- 86183
- DTXSID
DTXSID00923260- Nikkaji
- J579.659H
Properties
Computed structural properties
- XLogP
- 1.8
- Topological polar surface area
- 54.1 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 3
- Heavy atoms
- 23
- Formal charge
- 0
- Complexity
- 435
Experimental & physicochemical properties
LogP2.21
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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