2-(5-bromofuran-2-yl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

C13H17BrN4O2 — CID 29230675

IUPAC2-(5-bromofuran-2-yl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCN1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1
InChIInChI=1S/C13H17BrN4O2/c1-2-17-5-7-18(8-6-17)9-12-15-16-13(20-12)10-3-4-11(14)19-10/h3-4H,2,5-9H2,1H3
InChIKeyJJDCNNNUNWHVHF-UHFFFAOYSA-N
MW341.21 g/mol
LogP2.23
Rot. Bonds4

About 2-(5-bromofuran-2-yl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

2-(5-bromofuran-2-yl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 29230675) has the molecular formula C13H17BrN4O2 and a molecular weight of 341.21 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID29230675
Molecular FormulaC13H17BrN4O2
Molecular Weight341.21 g/mol
Exact Mass340.05
IUPAC Name2-(5-bromofuran-2-yl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESCCN1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1
InChIInChI=1S/C13H17BrN4O2/c1-2-17-5-7-18(8-6-17)9-12-15-16-13(20-12)10-3-4-11(14)19-10/h3-4H,2,5-9H2,1H3
InChIKeyJJDCNNNUNWHVHF-UHFFFAOYSA-N
XLogP2.23
TPSA58.54 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.21
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromofuran-2-yl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (CID 29230675) is 2-(5-bromofuran-2-yl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromofuran-2-yl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is CCN1CCN(Cc2nnc(-c3ccc(Br)o3)o2)CC1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is JJDCNNNUNWHVHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17BrN4O2/c1-2-17-5-7-18(8-6-17)9-12-15-16-13(20-12)10-3-4-11(14)19-10/h3-4H,2,5-9H2,1H3.
What are the key properties of 2-(5-bromofuran-2-yl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
2-(5-bromofuran-2-yl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 341.21 g/mol, XLogP of 2.23, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-5-[(4-ethylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 29230675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).