5-piperazin-1-yl-3-propyl-1,2,4-oxadiazole

C9H16N4O — CID 118396401

IUPAC5-piperazin-1-yl-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(N2CCNCC2)n1
InChIInChI=1S/C9H16N4O/c1-2-3-8-11-9(14-12-8)13-6-4-10-5-7-13/h10H,2-7H2,1H3
InChIKeyMIVYSQLSZUWLOL-UHFFFAOYSA-N
MW196.25 g/mol
LogP0.43
Rot. Bonds3

About 5-piperazin-1-yl-3-propyl-1,2,4-oxadiazole

5-piperazin-1-yl-3-propyl-1,2,4-oxadiazole (PubChem CID 118396401) has the molecular formula C9H16N4O and a molecular weight of 196.25 g/mol. Its IUPAC name is 5-piperazin-1-yl-3-propyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-piperazin-1-yl-3-propyl-1,2,4-oxadiazole
PubChem CID118396401
Molecular FormulaC9H16N4O
Molecular Weight196.25 g/mol
Exact Mass196.13
IUPAC Name5-piperazin-1-yl-3-propyl-1,2,4-oxadiazole
SMILESCCCc1noc(N2CCNCC2)n1
InChIInChI=1S/C9H16N4O/c1-2-3-8-11-9(14-12-8)13-6-4-10-5-7-13/h10H,2-7H2,1H3
InChIKeyMIVYSQLSZUWLOL-UHFFFAOYSA-N
XLogP0.43
TPSA54.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 50.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-piperazin-1-yl-3-propyl-1,2,4-oxadiazole?
The IUPAC name of 5-piperazin-1-yl-3-propyl-1,2,4-oxadiazole (CID 118396401) is 5-piperazin-1-yl-3-propyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-piperazin-1-yl-3-propyl-1,2,4-oxadiazole?
The canonical SMILES for 5-piperazin-1-yl-3-propyl-1,2,4-oxadiazole is CCCc1noc(N2CCNCC2)n1.
What is the InChIKey of 5-piperazin-1-yl-3-propyl-1,2,4-oxadiazole?
The InChIKey is MIVYSQLSZUWLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N4O/c1-2-3-8-11-9(14-12-8)13-6-4-10-5-7-13/h10H,2-7H2,1H3.
What are the key properties of 5-piperazin-1-yl-3-propyl-1,2,4-oxadiazole?
5-piperazin-1-yl-3-propyl-1,2,4-oxadiazole has a molecular weight of 196.25 g/mol, XLogP of 0.43, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-piperazin-1-yl-3-propyl-1,2,4-oxadiazole is sourced from PubChem (CID 118396401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).