Basic information
- Standard SMILES
COC(=O)c1cc(Oc2ccc(-c3nnc(C)o3)cc2)cc(O[C@H]2CCNC2=O)c1- InChIKey
GRTGSIKLEPHLFX-SFHVURJKSA-N- Molecular formula
- C21H19N3O6
- Average molar mass
- 409.4 g/mol
Names & identifiers
- Preferred name
- (S)-(-)-methyl 3-(4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy)-5-((2-oxopyrrolidin-3-yl)oxy)benzoate
- IUPAC
- methyl 3-[4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy]-5-[(3S)-2-oxopyrrolidin-3-yl]oxybenzoate
Names & synonyms
SCHEMBL10318718GRTGSIKLEPHLFX-SFHVURJKSA-N(S)-(-)-Methyl 3-(4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy)-5-((2-oxo pyrrolidin-3-yl)oxy)benzoate(S)-(-)-methyl 3-(4-(5-methyl-1,3,4-oxadiazol-2-yl)phenoxy)-5-((2-oxopyrrolidin-3-yl)oxy)benzoate
Database identifiers
- PubChem CID
- 68106907
Properties
Computed structural properties
- XLogP
- 2.7
- Topological polar surface area
- 113 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 8
- Rotatable bonds
- 7
- Heavy atoms
- 30
- Formal charge
- 0
- Complexity
- 612
Related reactions
2 records
Compound notes
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