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

C15H19ClN4O — CID 63342976

IUPAC5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
SMILESCCC(c1noc(-c2ccc(Cl)cc2)n1)N1CCNCC1
InChIInChI=1S/C15H19ClN4O/c1-2-13(20-9-7-17-8-10-20)14-18-15(21-19-14)11-3-5-12(16)6-4-11/h3-6,13,17H,2,7-10H2,1H3
InChIKeyPIFNVZOSQBOBCZ-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.75
Rot. Bonds4

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

5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole (PubChem CID 63342976) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
PubChem CID63342976
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole
SMILESCCC(c1noc(-c2ccc(Cl)cc2)n1)N1CCNCC1
InChIInChI=1S/C15H19ClN4O/c1-2-13(20-9-7-17-8-10-20)14-18-15(21-19-14)11-3-5-12(16)6-4-11/h3-6,13,17H,2,7-10H2,1H3
InChIKeyPIFNVZOSQBOBCZ-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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Frequently Asked Questions

What is the IUPAC name of 5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole (CID 63342976) is 5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole is CCC(c1noc(-c2ccc(Cl)cc2)n1)N1CCNCC1.
What is the InChIKey of 5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
The InChIKey is PIFNVZOSQBOBCZ-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)11-3-5-12(16)6-4-11/h3-6,13,17H,2,7-10H2,1H3.
What are the key properties of 5-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole?
5-(4-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-(4-chlorophenyl)-3-(1-piperazin-1-ylpropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 63342976), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).