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

C11H20N4O2 — CID 62310459

IUPAC5-(piperazin-1-ylmethyl)-3-(propoxymethyl)-1,2,4-oxadiazole
SMILESCCCOCc1noc(CN2CCNCC2)n1
InChIInChI=1S/C11H20N4O2/c1-2-7-16-9-10-13-11(17-14-10)8-15-5-3-12-4-6-15/h12H,2-9H2,1H3
InChIKeyRKQBYOJMWOONHG-UHFFFAOYSA-N
MW240.31 g/mol
LogP0.40
Rot. Bonds6

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

5-(piperazin-1-ylmethyl)-3-(propoxymethyl)-1,2,4-oxadiazole (PubChem CID 62310459) has the molecular formula C11H20N4O2 and a molecular weight of 240.31 g/mol. Its IUPAC name is 5-(piperazin-1-ylmethyl)-3-(propoxymethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(piperazin-1-ylmethyl)-3-(propoxymethyl)-1,2,4-oxadiazole
PubChem CID62310459
Molecular FormulaC11H20N4O2
Molecular Weight240.31 g/mol
Exact Mass240.16
IUPAC Name5-(piperazin-1-ylmethyl)-3-(propoxymethyl)-1,2,4-oxadiazole
SMILESCCCOCc1noc(CN2CCNCC2)n1
InChIInChI=1S/C11H20N4O2/c1-2-7-16-9-10-13-11(17-14-10)8-15-5-3-12-4-6-15/h12H,2-9H2,1H3
InChIKeyRKQBYOJMWOONHG-UHFFFAOYSA-N
XLogP0.40
TPSA63.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.31
LogP ≤ 50.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-(methylsulfanylmethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 62691902
5-nonyl-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 65428927
2-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]morpholine
CID 66434616
3-butan-2-yl-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63716823
3-(piperazin-1-ylmethyl)-5-[2-(2,2,2-trifluoroethoxy)ethyl]-1,2,4-oxadiazole
CID 103211775
5-(3-methylbutyl)-3-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 63342313
3-[(4-bromophenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 62310452
3-(propoxymethyl)-5-(4-propylpiperidin-4-yl)-1,2,4-oxadiazole
CID 63125830
3-(oxolan-3-ylmethyl)-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 103985827
N-[[3-(propoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]prop-2-en-1-amine
CID 79275524
3-(chloromethyl)-5-(propoxymethyl)-1,2,4-oxadiazole
CID 107939303
3-[(2-fluorophenyl)methyl]-5-(piperazin-1-ylmethyl)-1,2,4-oxadiazole
CID 62312249

Frequently Asked Questions

What is the IUPAC name of 5-(piperazin-1-ylmethyl)-3-(propoxymethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(piperazin-1-ylmethyl)-3-(propoxymethyl)-1,2,4-oxadiazole (CID 62310459) is 5-(piperazin-1-ylmethyl)-3-(propoxymethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(piperazin-1-ylmethyl)-3-(propoxymethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(piperazin-1-ylmethyl)-3-(propoxymethyl)-1,2,4-oxadiazole is CCCOCc1noc(CN2CCNCC2)n1.
What is the InChIKey of 5-(piperazin-1-ylmethyl)-3-(propoxymethyl)-1,2,4-oxadiazole?
The InChIKey is RKQBYOJMWOONHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N4O2/c1-2-7-16-9-10-13-11(17-14-10)8-15-5-3-12-4-6-15/h12H,2-9H2,1H3.
What are the key properties of 5-(piperazin-1-ylmethyl)-3-(propoxymethyl)-1,2,4-oxadiazole?
5-(piperazin-1-ylmethyl)-3-(propoxymethyl)-1,2,4-oxadiazole has a molecular weight of 240.31 g/mol, XLogP of 0.40, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(piperazin-1-ylmethyl)-3-(propoxymethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 62310459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).