5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

C16H30N4O — CID 65428927

IUPAC5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCCCCCCCCCc1nc(CN2CCNCC2)no1
InChIInChI=1S/C16H30N4O/c1-2-3-4-5-6-7-8-9-16-18-15(19-21-16)14-20-12-10-17-11-13-20/h17H,2-14H2,1H3
InChIKeyFCZKZHWADHTHRR-UHFFFAOYSA-N
MW294.44 g/mol
LogP2.77
Rot. Bonds10

About 5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole

5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 65428927) has the molecular formula C16H30N4O and a molecular weight of 294.44 g/mol. Its IUPAC name is 5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID65428927
Molecular FormulaC16H30N4O
Molecular Weight294.44 g/mol
Exact Mass294.24
IUPAC Name5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
SMILESCCCCCCCCCc1nc(CN2CCNCC2)no1
InChIInChI=1S/C16H30N4O/c1-2-3-4-5-6-7-8-9-16-18-15(19-21-16)14-20-12-10-17-11-13-20/h17H,2-14H2,1H3
InChIKeyFCZKZHWADHTHRR-UHFFFAOYSA-N
XLogP2.77
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole (CID 65428927) is 5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is CCCCCCCCCc1nc(CN2CCNCC2)no1.
What is the InChIKey of 5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is FCZKZHWADHTHRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30N4O/c1-2-3-4-5-6-7-8-9-16-18-15(19-21-16)14-20-12-10-17-11-13-20/h17H,2-14H2,1H3.
What are the key properties of 5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole?
5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 294.44 g/mol, XLogP of 2.77, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 65428927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).