Basic information
- CAS
1170112-70-5- Standard SMILES
CCCOc1ccc(-c2noc(C3CC(=O)N(Cc4ccc(Cl)cc4)C3)n2)cc1OC- InChIKey
SHKHURSJWPDAKB-UHFFFAOYSA-N- Molecular formula
- C23H24ClN3O4
- Average molar mass
- 441.9 g/mol
- Monoisotopic mass
- 441.1455339
Names & identifiers
- Preferred name
- 1-[(4-Chlorophenyl)methyl]-4-[3-(3-methoxy-4-propoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyrrolidinone
- IUPAC
- 1-[(4-chlorophenyl)methyl]-4-[3-(3-methoxy-4-propoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
Names & synonyms
DTXSID6011160341-[(4-Chlorophenyl)methyl]-4-[3-(3-methoxy-4-propoxyphenyl)-1,2,4-oxadiazol-5-yl]-2-pyrrolidinone1170112-70-51-[(4-chlorophenyl)methyl]-4-[3-(3-methoxy-4-propoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-2-one
Database identifiers
- CAS
1170112-70-5- PubChem CID
- 44094104
- DTXSID
DTXSID601116034
Properties
Computed structural properties
- XLogP
- 4.1
- Topological polar surface area
- 77.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 8
- Heavy atoms
- 31
- Formal charge
- 0
- Complexity
- 589
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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