2-(5-bromofuran-2-yl)-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole

C12H14BrN3O2 — CID 29230414

IUPAC2-(5-bromofuran-2-yl)-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(CN3CCCCC3)o2)o1
InChIInChI=1S/C12H14BrN3O2/c13-10-5-4-9(17-10)12-15-14-11(18-12)8-16-6-2-1-3-7-16/h4-5H,1-3,6-8H2
InChIKeyLPYICPGFZUOJQW-UHFFFAOYSA-N
MW312.17 g/mol
LogP3.08
Rot. Bonds3

About 2-(5-bromofuran-2-yl)-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole

2-(5-bromofuran-2-yl)-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole (PubChem CID 29230414) has the molecular formula C12H14BrN3O2 and a molecular weight of 312.17 g/mol. Its IUPAC name is 2-(5-bromofuran-2-yl)-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(5-bromofuran-2-yl)-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole
PubChem CID29230414
Molecular FormulaC12H14BrN3O2
Molecular Weight312.17 g/mol
Exact Mass311.03
IUPAC Name2-(5-bromofuran-2-yl)-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole
SMILESBrc1ccc(-c2nnc(CN3CCCCC3)o2)o1
InChIInChI=1S/C12H14BrN3O2/c13-10-5-4-9(17-10)12-15-14-11(18-12)8-16-6-2-1-3-7-16/h4-5H,1-3,6-8H2
InChIKeyLPYICPGFZUOJQW-UHFFFAOYSA-N
XLogP3.08
TPSA55.30 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.17
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(5-bromofuran-2-yl)-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromofuran-2-yl)-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(5-bromofuran-2-yl)-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole (CID 29230414) is 2-(5-bromofuran-2-yl)-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(5-bromofuran-2-yl)-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(5-bromofuran-2-yl)-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole is Brc1ccc(-c2nnc(CN3CCCCC3)o2)o1.
What is the InChIKey of 2-(5-bromofuran-2-yl)-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole?
The InChIKey is LPYICPGFZUOJQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14BrN3O2/c13-10-5-4-9(17-10)12-15-14-11(18-12)8-16-6-2-1-3-7-16/h4-5H,1-3,6-8H2.
What are the key properties of 2-(5-bromofuran-2-yl)-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole?
2-(5-bromofuran-2-yl)-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole has a molecular weight of 312.17 g/mol, XLogP of 3.08, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromofuran-2-yl)-5-(piperidin-1-ylmethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 29230414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).