Basic information
- CAS
1185121-49-6- Standard SMILES
COc1ccc(C(=O)N2CCN(c3nc(-c4ccc(Cl)cc4)no3)CC2)cc1- InChIKey
SPXAKHUBJYVOSF-UHFFFAOYSA-N- Molecular formula
- C20H19ClN4O3
- Average molar mass
- 398.8 g/mol
- Monoisotopic mass
- 398.1145682
Names & identifiers
- Preferred name
- 1-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-(4-methoxybenzoyl)piperazine
- IUPAC
- [4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone
Names & synonyms
1-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-4-(4-methoxybenzoyl)piperazine1185121-49-6{4-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl}(4-methoxyphenyl)methanoneDTXSID001128114AKOS005003389[4-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]piperazin-1-yl]-(4-methoxyphenyl)methanone[4-[3-(4-Chlorophenyl)-1,2,4-oxadiazol-5-yl]-1-piperazinyl](4-methoxyphenyl)methanone
Database identifiers
- CAS
1185121-49-6- PubChem CID
- 46358434
- DTXSID
DTXSID001128114
Properties
Computed structural properties
- XLogP
- 3.8
- Topological polar surface area
- 71.7 Ų
- Hydrogen bond donors
- 0
- Hydrogen bond acceptors
- 6
- Rotatable bonds
- 4
- Heavy atoms
- 28
- Formal charge
- 0
- Complexity
- 516
Related reactions
0 records
No reaction records under the current filter.
Compound notes
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