1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone

C21H21ClN4O3 — CID 171146437

IUPAC1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone
SMILESCOc1ccc(-c2nnc(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)o2)cc1
InChIInChI=1S/C21H21ClN4O3/c1-28-18-7-5-15(6-8-18)21-24-23-19(29-21)14-20(27)26-11-9-25(10-12-26)17-4-2-3-16(22)13-17/h2-8,13H,9-12,14H2,1H3
InChIKeyZGAIDBTYAUMICL-UHFFFAOYSA-N
MW412.88 g/mol
LogP3.29
Rot. Bonds5

About 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone

1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone (PubChem CID 171146437) has the molecular formula C21H21ClN4O3 and a molecular weight of 412.88 g/mol. Its IUPAC name is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone.

Molecular Properties

Compound Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone
PubChem CID171146437
Molecular FormulaC21H21ClN4O3
Molecular Weight412.88 g/mol
Exact Mass412.13
IUPAC Name1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone
SMILESCOc1ccc(-c2nnc(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)o2)cc1
InChIInChI=1S/C21H21ClN4O3/c1-28-18-7-5-15(6-8-18)21-24-23-19(29-21)14-20(27)26-11-9-25(10-12-26)17-4-2-3-16(22)13-17/h2-8,13H,9-12,14H2,1H3
InChIKeyZGAIDBTYAUMICL-UHFFFAOYSA-N
XLogP3.29
TPSA71.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.88
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-chlorophenyl)piperazin-1-yl]-[5-(3-methoxyphenyl)-1,3,4-oxadiazol-2-yl]methanone
CID 110391904
3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]-1-[4-(3-methylphenyl)piperazin-1-yl]propan-1-one
CID 51263196
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(4-methyl-2-phenyl-1,3-oxazol-5-yl)ethanone
CID 110648973
[4-(3-chlorophenyl)piperazin-1-yl]-[5-(4-methoxyphenyl)furan-2-yl]methanethione
CID 1323906
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-(3,4-dimethoxyphenyl)ethanone
CID 1108344
1-[4-(3-methoxyphenyl)piperazin-1-yl]-2-(5-methyl-2-phenyl-1,3-oxazol-4-yl)ethanone
CID 31913134
2-[[4-(3-methoxyphenyl)piperazin-1-yl]methyl]-5-phenyl-1,3,4-oxadiazole
CID 4824709
3-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]-1-morpholin-4-ylpropan-1-one
CID 110335021
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[4-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)phenoxy]ethanone
CID 25238351
[2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl] 2-(4-methoxyphenoxy)propanoate
CID 55517829
1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]-3-[5-(4-methylphenyl)-1,3,4-oxadiazol-2-yl]propan-1-one
CID 9077346
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]ethanone
CID 60614124

Frequently Asked Questions

What is the IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone?
The IUPAC name of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone (CID 171146437) is 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone.
What is the SMILES notation for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone?
The canonical SMILES for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone is COc1ccc(-c2nnc(CC(=O)N3CCN(c4cccc(Cl)c4)CC3)o2)cc1.
What is the InChIKey of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone?
The InChIKey is ZGAIDBTYAUMICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21ClN4O3/c1-28-18-7-5-15(6-8-18)21-24-23-19(29-21)14-20(27)26-11-9-25(10-12-26)17-4-2-3-16(22)13-17/h2-8,13H,9-12,14H2,1H3.
What are the key properties of 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone?
1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone has a molecular weight of 412.88 g/mol, XLogP of 3.29, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(3-chlorophenyl)piperazin-1-yl]-2-[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]ethanone is sourced from PubChem (CID 171146437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).