5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole

C15H19ClN4O — CID 51075887

IUPAC5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(CN2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C15H19ClN4O/c1-2-14-17-15(21-18-14)11-19-6-8-20(9-7-19)13-5-3-4-12(16)10-13/h3-5,10H,2,6-9,11H2,1H3
InChIKeyNYEQSLSEEPSPMC-UHFFFAOYSA-N
MW306.80 g/mol
LogP2.61
Rot. Bonds4

About 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole

5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole (PubChem CID 51075887) has the molecular formula C15H19ClN4O and a molecular weight of 306.80 g/mol. Its IUPAC name is 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
PubChem CID51075887
Molecular FormulaC15H19ClN4O
Molecular Weight306.80 g/mol
Exact Mass306.12
IUPAC Name5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole
SMILESCCc1noc(CN2CCN(c3cccc(Cl)c3)CC2)n1
InChIInChI=1S/C15H19ClN4O/c1-2-14-17-15(21-18-14)11-19-6-8-20(9-7-19)13-5-3-4-12(16)10-13/h3-5,10H,2,6-9,11H2,1H3
InChIKeyNYEQSLSEEPSPMC-UHFFFAOYSA-N
XLogP2.61
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.80
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole?
The IUPAC name of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole (CID 51075887) is 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole?
The canonical SMILES for 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole is CCc1noc(CN2CCN(c3cccc(Cl)c3)CC2)n1.
What is the InChIKey of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole?
The InChIKey is NYEQSLSEEPSPMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19ClN4O/c1-2-14-17-15(21-18-14)11-19-6-8-20(9-7-19)13-5-3-4-12(16)10-13/h3-5,10H,2,6-9,11H2,1H3.
What are the key properties of 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole?
5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole has a molecular weight of 306.80 g/mol, XLogP of 2.61, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(3-chlorophenyl)piperazin-1-yl]methyl]-3-ethyl-1,2,4-oxadiazole is sourced from PubChem (CID 51075887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).