Basic information
- Standard SMILES
CC1(COc2ccc(N3CCN(Cc4ccc(C(F)(F)F)cc4)CC3)cc2)Cn2cc([N+](=O)[O-])nc2O1- InChIKey
JMBCEUCFQUVBIJ-UHFFFAOYSA-N- Molecular formula
- C25H26F3N5O4
- Average molar mass
- 517.5 g/mol
- Monoisotopic mass
- 517.19368881
Names & identifiers
- Preferred name
- 2-Methyl-6-nitro-2-{4-[4-(4-trifluoromethylbenzyl)piperazin-1-yl]phenoxymethyl}-2,3-dihydroimidazo[2,1-b]oxazole
- IUPAC
- 2-methyl-6-nitro-2-[[4-[4-[[4-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]phenoxy]methyl]-3H-imidazo[2,1-b][1,3]oxazole
Names & synonyms
2-methyl-6-nitro-2-{4-[4-(4-trifluoromethylbenzyl)piperazin-1-yl]phenoxymethyl}-2,3-dihydroimidazo[2,1-b]oxazoleSCHEMBL5534767
Database identifiers
- PubChem CID
- 10414224
Properties
Computed structural properties
- XLogP
- 4.4
- Topological polar surface area
- 88.6 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 10
- Rotatable bonds
- 6
- Heavy atoms
- 37
- Formal charge
- 0
- Complexity
- 777
Related reactions
3 records
Compound notes
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