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

C17H21ClN4O2 — CID 110610756

IUPAC3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCCc1nnc(N2CCN(C(=O)CCc3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C17H21ClN4O2/c1-2-15-19-20-17(24-15)22-10-8-21(9-11-22)16(23)7-6-13-4-3-5-14(18)12-13/h3-5,12H,2,6-11H2,1H3
InChIKeyUGZHDAFNEMCQQD-UHFFFAOYSA-N
MW348.83 g/mol
LogP2.57
Rot. Bonds5

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

3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one (PubChem CID 110610756) has the molecular formula C17H21ClN4O2 and a molecular weight of 348.83 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one.

Molecular Properties

Compound Name3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
PubChem CID110610756
Molecular FormulaC17H21ClN4O2
Molecular Weight348.83 g/mol
Exact Mass348.14
IUPAC Name3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
SMILESCCc1nnc(N2CCN(C(=O)CCc3cccc(Cl)c3)CC2)o1
InChIInChI=1S/C17H21ClN4O2/c1-2-15-19-20-17(24-15)22-10-8-21(9-11-22)16(23)7-6-13-4-3-5-14(18)12-13/h3-5,12H,2,6-11H2,1H3
InChIKeyUGZHDAFNEMCQQD-UHFFFAOYSA-N
XLogP2.57
TPSA62.47 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.83
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

3-(1,3-benzodioxol-5-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one
CID 110419876
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-2-(3-fluorophenyl)ethanone
CID 110665149
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-(4-methylphenyl)butan-1-one
CID 110617475
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-4-(2-methylphenyl)butan-1-one
CID 110419867
3-(3-chlorophenyl)-1-[4-(2-hydroxyphenyl)piperazin-1-yl]propan-1-one
CID 134031560
3-(3-chlorophenyl)-1-[4-(2,3-dimethylphenyl)piperazin-1-yl]propan-1-one
CID 127122166
3-(3-chlorophenyl)-1-[4-[6-(2-methylimidazol-1-yl)pyrimidin-4-yl]piperazin-1-yl]propan-1-one
CID 122338790
2-(5-chloro-1H-indol-3-yl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]ethanone
CID 110419820
3-(3-chlorophenyl)-1-[4-(3-thiophen-2-ylpropanoyl)piperazin-1-yl]propan-1-one
CID 110422057
1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-5-thiophen-2-ylpentane-1,5-dione
CID 110617483
3-(3-chlorophenyl)-1-(4-methylsulfonylpiperidin-1-yl)propan-1-one
CID 90586406
[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]-(3-methoxyphenyl)methanone
CID 110603084

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
The IUPAC name of 3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one (CID 110610756) is 3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one.
What is the SMILES notation for 3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
The canonical SMILES for 3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one is CCc1nnc(N2CCN(C(=O)CCc3cccc(Cl)c3)CC2)o1.
What is the InChIKey of 3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
The InChIKey is UGZHDAFNEMCQQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21ClN4O2/c1-2-15-19-20-17(24-15)22-10-8-21(9-11-22)16(23)7-6-13-4-3-5-14(18)12-13/h3-5,12H,2,6-11H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one?
3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one has a molecular weight of 348.83 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-1-[4-(5-ethyl-1,3,4-oxadiazol-2-yl)piperazin-1-yl]propan-1-one is sourced from PubChem (CID 110610756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).