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

C11H14N4O2 — CID 43090469

IUPAC2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(CN3CCNCC3)o2)c1
InChIInChI=1S/C11H14N4O2/c1-2-9(16-7-1)11-14-13-10(17-11)8-15-5-3-12-4-6-15/h1-2,7,12H,3-6,8H2
InChIKeyTWLHCZLYWVOLJZ-UHFFFAOYSA-N
MW234.26 g/mol
LogP0.73
Rot. Bonds3

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

2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole (PubChem CID 43090469) has the molecular formula C11H14N4O2 and a molecular weight of 234.26 g/mol. Its IUPAC name is 2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
PubChem CID43090469
Molecular FormulaC11H14N4O2
Molecular Weight234.26 g/mol
Exact Mass234.11
IUPAC Name2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole
SMILESc1coc(-c2nnc(CN3CCNCC3)o2)c1
InChIInChI=1S/C11H14N4O2/c1-2-9(16-7-1)11-14-13-10(17-11)8-15-5-3-12-4-6-15/h1-2,7,12H,3-6,8H2
InChIKeyTWLHCZLYWVOLJZ-UHFFFAOYSA-N
XLogP0.73
TPSA67.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.26
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole (CID 43090469) is 2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole is c1coc(-c2nnc(CN3CCNCC3)o2)c1.
What is the InChIKey of 2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is TWLHCZLYWVOLJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O2/c1-2-9(16-7-1)11-14-13-10(17-11)8-15-5-3-12-4-6-15/h1-2,7,12H,3-6,8H2.
What are the key properties of 2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole?
2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 234.26 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-yl)-5-(piperazin-1-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 43090469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).