[4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone

C23H25ClN4O4 — CID 55544052

IUPAC[4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(C)c3nnc(-c4cccc(Cl)c4)o3)CC2)cc1OC
InChIInChI=1S/C23H25ClN4O4/c1-15(21-25-26-22(32-21)16-5-4-6-18(24)13-16)27-9-11-28(12-10-27)23(29)17-7-8-19(30-2)20(14-17)31-3/h4-8,13-15H,9-12H2,1-3H3
InChIKeyAWQRYMLGUYZZJC-UHFFFAOYSA-N
MW456.93 g/mol
LogP3.93
Rot. Bonds6

About [4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone

[4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone (PubChem CID 55544052) has the molecular formula C23H25ClN4O4 and a molecular weight of 456.93 g/mol. Its IUPAC name is [4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone.

Molecular Properties

Compound Name[4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
PubChem CID55544052
Molecular FormulaC23H25ClN4O4
Molecular Weight456.93 g/mol
Exact Mass456.16
IUPAC Name[4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
SMILESCOc1ccc(C(=O)N2CCN(C(C)c3nnc(-c4cccc(Cl)c4)o3)CC2)cc1OC
InChIInChI=1S/C23H25ClN4O4/c1-15(21-25-26-22(32-21)16-5-4-6-18(24)13-16)27-9-11-28(12-10-27)23(29)17-7-8-19(30-2)20(14-17)31-3/h4-8,13-15H,9-12H2,1-3H3
InChIKeyAWQRYMLGUYZZJC-UHFFFAOYSA-N
XLogP3.93
TPSA80.93 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.93
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[(1R)-1-[5-(3-methylphenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-phenylmethanone
CID 8597061
2-(3-chlorophenyl)-5-[1-[4-(4-methoxyphenyl)piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 51225270
2-(3-chlorophenyl)-5-[(1S)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308998
2-(3-chlorophenyl)-5-[(1R)-1-(4-phenylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 31308994
2-(3-chlorophenyl)-5-[(1S)-1-(4-pyridin-2-ylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 8620018
[4-(difluoromethoxy)-3-methoxyphenyl]-[4-[1-(3-phenyl-1,2,4-oxadiazol-5-yl)ethyl]piperazin-1-yl]methanone
CID 46403384
4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2-methylmorpholine
CID 51294713
[4-(5-chloro-2-methoxybenzoyl)piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone
CID 33000048
(2R,6S)-4-[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]-2,6-dimethylmorpholine
CID 29241115
2-(3-chlorophenyl)-5-[1-(4-pentylsulfonylpiperazin-1-yl)ethyl]-1,3,4-oxadiazole
CID 86936903
2-(3-chlorophenyl)-5-[1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]ethyl]-1,3,4-oxadiazole
CID 46595701
[(1R)-1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl] acetate
CID 44605913

Frequently Asked Questions

What is the IUPAC name of [4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The IUPAC name of [4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone (CID 55544052) is [4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone.
What is the SMILES notation for [4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The canonical SMILES for [4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone is COc1ccc(C(=O)N2CCN(C(C)c3nnc(-c4cccc(Cl)c4)o3)CC2)cc1OC.
What is the InChIKey of [4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone?
The InChIKey is AWQRYMLGUYZZJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25ClN4O4/c1-15(21-25-26-22(32-21)16-5-4-6-18(24)13-16)27-9-11-28(12-10-27)23(29)17-7-8-19(30-2)20(14-17)31-3/h4-8,13-15H,9-12H2,1-3H3.
What are the key properties of [4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone?
[4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone has a molecular weight of 456.93 g/mol, XLogP of 3.93, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-[5-(3-chlorophenyl)-1,3,4-oxadiazol-2-yl]ethyl]piperazin-1-yl]-(3,4-dimethoxyphenyl)methanone is sourced from PubChem (CID 55544052), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).