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Basic information
- Standard SMILES
CCOC(=O)N1CCC(c2noc(-c3cc(Cl)c(N)c4c3OCC4)n2)CC1- InChIKey
YPFOFWITOGFNHE-UHFFFAOYSA-N- Molecular formula
- C18H21ClN4O4
- Average molar mass
- 392.8 g/mol
Names & identifiers
- Preferred name
- Ethyl 4-[5-(4-amino-5-chloro-2,3-dihydro-7-benzofuranyl)-1,2,4-oxadiazol-3-yl]-1-piperidinecarboxylate
- IUPAC
- ethyl 4-[5-(4-amino-5-chloro-2,3-dihydro-1-benzofuran-7-yl)-1,2,4-oxadiazol-3-yl]piperidine-1-carboxylate
Names & synonyms
SCHEMBL5035922YPFOFWITOGFNHE-UHFFFAOYSA-Nethyl 4- [5-(4-amino-5-chloro-2,3-dihydro-7-benzofuranyl)- 1,2,4-oxadiazol-3-yl]-1-piperidinecarboxylate
Database identifiers
- PubChem CID
- 54520153
Properties
Computed structural propertiesFilling in
- XLogP
- 2.6
- Topological polar surface area
- 104 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 7
- Rotatable bonds
- 4
- Heavy atoms
- 27
- Formal charge
- 0
- Complexity
- 533
Related reactions
3 records
Compound notes
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