Basic information
- Standard SMILES
CC(=NOCc1ccc(C(F)(F)F)cc1)c1cnc(N(CC(=O)O)CC(=O)O)o1- InChIKey
MLMQSMWPPLASGE-UHFFFAOYSA-N- Molecular formula
- C17H16F3N3O6
- Average molar mass
- 415.3 g/mol
Names & identifiers
- Preferred name
- 2,2'-((5-(1-(((4-(Trifluoromethyl)benzyl)oxy)imino)ethyl)oxazol-2-yl)azanediyl)diacetic acid
- IUPAC
- 2-[carboxymethyl-[5-[C-methyl-N-[[4-(trifluoromethyl)phenyl]methoxy]carbonimidoyl]-1,3-oxazol-2-yl]amino]acetic acid
Names & synonyms
2,2'-((5-(1-(((4-(trifluoromethyl)benzyl)oxy)imino)ethyl)oxazol-2-yl)azanediyl)diacetic acidSCHEMBL12476857
Database identifiers
- PubChem CID
- 76528215
Properties
Computed structural properties
- XLogP
- 3
- Topological polar surface area
- 125 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 12
- Rotatable bonds
- 9
- Heavy atoms
- 29
- Formal charge
- 0
- Complexity
- 592
Related reactions
2 records
Compound notes
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