5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole

C15H19ClN4O — CID 63342891

IUPAC5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
SMILESCCC(c1noc(-c2ccccc2Cl)n1)N1CCNCC1
InChIInChI=1S/C15H19ClN4O/c1-2-13(20-9-7-17-8-10-20)14-18-15(21-19-14)11-5-3-4-6-12(11)16/h3-6,13,17H,2,7-10H2,1H3
InChIKeyYZGIKVSAEJNJFQ-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.75
Rot. Bonds4

About 5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole

5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole (PubChem CID 63342891) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
PubChem CID63342891
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
SMILESCCC(c1noc(-c2ccccc2Cl)n1)N1CCNCC1
InChIInChI=1S/C15H19ClN4O/c1-2-13(20-9-7-17-8-10-20)14-18-15(21-19-14)11-5-3-4-6-12(11)16/h3-6,13,17H,2,7-10H2,1H3
InChIKeyYZGIKVSAEJNJFQ-UHFFFAOYSA-N
XLogP2.75
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63342976
5-(5-chlorothiophen-2-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63343104
5-(1,3-dimethylpyrazol-4-yl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 102802215
1-[(1R)-1-(2-chlorophenyl)propyl]piperazine
CID 92754288
5-(2-chlorophenyl)-3-(1,2-dimethoxyethyl)-1,2,4-oxadiazole
CID 167773891
5-(1,1,2,2,2-pentafluoroethyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 104632879
5-(furan-3-yl)-3-(1-piperazin-1-ylbutyl)-1,2,4-oxadiazole
CID 63342855
5-(2-methylcyclopropyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
CID 63343286
3-(1-piperazin-1-ylbutyl)-5-pyridazin-4-yl-1,2,4-oxadiazole
CID 104672191
1-[5-(2-chlorophenyl)-1,2,4-oxadiazol-3-yl]-N',N'-diethylethane-1,2-diamine
CID 104635622
3-(1-piperazin-1-ylbutyl)-5-thiophen-3-yl-1,2,4-oxadiazole
CID 63342810
5-(2-methoxy-3-pyridinyl)-3-(1-piperazin-1-ylethyl)-1,2,4-oxadiazole
CID 63343186

Frequently Asked Questions

What is the IUPAC name of 5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole (CID 63342891) is 5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole is CCC(c1noc(-c2ccccc2Cl)n1)N1CCNCC1.
What is the InChIKey of 5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
The InChIKey is YZGIKVSAEJNJFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-2-13(20-9-7-17-8-10-20)14-18-15(21-19-14)11-5-3-4-6-12(11)16/h3-6,13,17H,2,7-10H2,1H3.
What are the key properties of 5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole has a molecular weight of 306.80 g/mol, XLogP of 2.75, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63342891), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).