2-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride

C15H18BrClN4O — CID 67281212

IUPAC2-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride
SMILESBrc1ccc(-c2nnc(N3CCN4CCC3CC4)o2)cc1.Cl
InChIInChI=1S/C15H17BrN4O.ClH/c16-12-3-1-11(2-4-12)14-17-18-15(21-14)20-10-9-19-7-5-13(20)6-8-19;/h1-4,13H,5-10H2;1H
InChIKeyPJZKECXGKKVPLH-UHFFFAOYSA-N
MW385.69 g/mol
LogP3.21
Rot. Bonds2

About 2-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride

2-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride (PubChem CID 67281212) has the molecular formula C15H18BrClN4O and a molecular weight of 385.69 g/mol. Its IUPAC name is 2-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride.

Molecular Properties

Compound Name2-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride
PubChem CID67281212
Molecular FormulaC15H18BrClN4O
Molecular Weight385.69 g/mol
Exact Mass384.04
IUPAC Name2-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride
SMILESBrc1ccc(-c2nnc(N3CCN4CCC3CC4)o2)cc1.Cl
InChIInChI=1S/C15H17BrN4O.ClH/c16-12-3-1-11(2-4-12)14-17-18-15(21-14)20-10-9-19-7-5-13(20)6-8-19;/h1-4,13H,5-10H2;1H
InChIKeyPJZKECXGKKVPLH-UHFFFAOYSA-N
XLogP3.21
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.69
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride 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-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride?
The IUPAC name of 2-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride (CID 67281212) is 2-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride.
What is the SMILES notation for 2-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride?
The canonical SMILES for 2-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride is Brc1ccc(-c2nnc(N3CCN4CCC3CC4)o2)cc1.Cl.
What is the InChIKey of 2-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride?
The InChIKey is PJZKECXGKKVPLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN4O.ClH/c16-12-3-1-11(2-4-12)14-17-18-15(21-14)20-10-9-19-7-5-13(20)6-8-19;/h1-4,13H,5-10H2;1H.
What are the key properties of 2-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride?
2-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride has a molecular weight of 385.69 g/mol, XLogP of 3.21, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole;hydrochloride is sourced from PubChem (CID 67281212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).