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

C14H20N4O2 — CID 65152492

IUPAC3-(piperazin-1-ylmethyl)-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole
SMILESCc1oc(C)c(-c2nc(CN3CCNCC3)no2)c1C
InChIInChI=1S/C14H20N4O2/c1-9-10(2)19-11(3)13(9)14-16-12(17-20-14)8-18-6-4-15-5-7-18/h15H,4-8H2,1-3H3
InChIKeyKYPNHZVBUFZQQW-UHFFFAOYSA-N
MW276.34 g/mol
LogP1.66
Rot. Bonds3

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

3-(piperazin-1-ylmethyl)-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole (PubChem CID 65152492) has the molecular formula C14H20N4O2 and a molecular weight of 276.34 g/mol. Its IUPAC name is 3-(piperazin-1-ylmethyl)-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(piperazin-1-ylmethyl)-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole
PubChem CID65152492
Molecular FormulaC14H20N4O2
Molecular Weight276.34 g/mol
Exact Mass276.16
IUPAC Name3-(piperazin-1-ylmethyl)-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole
SMILESCc1oc(C)c(-c2nc(CN3CCNCC3)no2)c1C
InChIInChI=1S/C14H20N4O2/c1-9-10(2)19-11(3)13(9)14-16-12(17-20-14)8-18-6-4-15-5-7-18/h15H,4-8H2,1-3H3
InChIKeyKYPNHZVBUFZQQW-UHFFFAOYSA-N
XLogP1.66
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.34
LogP ≤ 51.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-(piperazin-1-ylmethyl)-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(piperazin-1-ylmethyl)-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole (CID 65152492) is 3-(piperazin-1-ylmethyl)-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(piperazin-1-ylmethyl)-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(piperazin-1-ylmethyl)-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole is Cc1oc(C)c(-c2nc(CN3CCNCC3)no2)c1C.
What is the InChIKey of 3-(piperazin-1-ylmethyl)-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole?
The InChIKey is KYPNHZVBUFZQQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N4O2/c1-9-10(2)19-11(3)13(9)14-16-12(17-20-14)8-18-6-4-15-5-7-18/h15H,4-8H2,1-3H3.
What are the key properties of 3-(piperazin-1-ylmethyl)-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole?
3-(piperazin-1-ylmethyl)-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole has a molecular weight of 276.34 g/mol, XLogP of 1.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(piperazin-1-ylmethyl)-5-(2,4,5-trimethylfuran-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 65152492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).