2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-(18F)fluoroethyl)indol-6-yl]-1,3,4-oxadiazole

C19H22FN5O — CID 71603239

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-(18F)fluoroethyl)indol-6-yl]-1,3,4-oxadiazole
SMILES[18F]CCn1ccc2ccc(-c3nnc(N4CCN5CCC4CC5)o3)cc21
InChIInChI=1S/C19H22FN5O/c20-6-10-24-9-3-14-1-2-15(13-17(14)24)18-21-22-19(26-18)25-12-11-23-7-4-16(25)5-8-23/h1-3,9,13,16H,4-8,10-12H2/i20-1
InChIKeyZRTUGMRLPXGKGZ-LRFGSCOBSA-N
MW354.42 g/mol
LogP2.95
Rot. Bonds4

About 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-(18F)fluoroethyl)indol-6-yl]-1,3,4-oxadiazole

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-(18F)fluoroethyl)indol-6-yl]-1,3,4-oxadiazole (PubChem CID 71603239) has the molecular formula C19H22FN5O and a molecular weight of 354.42 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-(18F)fluoroethyl)indol-6-yl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-(18F)fluoroethyl)indol-6-yl]-1,3,4-oxadiazole
PubChem CID71603239
Molecular FormulaC19H22FN5O
Molecular Weight354.42 g/mol
Exact Mass354.18
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-(18F)fluoroethyl)indol-6-yl]-1,3,4-oxadiazole
SMILES[18F]CCn1ccc2ccc(-c3nnc(N4CCN5CCC4CC5)o3)cc21
InChIInChI=1S/C19H22FN5O/c20-6-10-24-9-3-14-1-2-15(13-17(14)24)18-21-22-19(26-18)25-12-11-23-7-4-16(25)5-8-23/h1-3,9,13,16H,4-8,10-12H2/i20-1
InChIKeyZRTUGMRLPXGKGZ-LRFGSCOBSA-N
XLogP2.95
TPSA50.33 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.42
LogP ≤ 52.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-(18F)fluoroethyl)indol-6-yl]-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-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-(18F)fluoroethyl)indol-6-yl]-1,3,4-oxadiazole?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-(18F)fluoroethyl)indol-6-yl]-1,3,4-oxadiazole (CID 71603239) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-(18F)fluoroethyl)indol-6-yl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-(18F)fluoroethyl)indol-6-yl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-(18F)fluoroethyl)indol-6-yl]-1,3,4-oxadiazole is [18F]CCn1ccc2ccc(-c3nnc(N4CCN5CCC4CC5)o3)cc21.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-(18F)fluoroethyl)indol-6-yl]-1,3,4-oxadiazole?
The InChIKey is ZRTUGMRLPXGKGZ-LRFGSCOBSA-N. The full InChI is InChI=1S/C19H22FN5O/c20-6-10-24-9-3-14-1-2-15(13-17(14)24)18-21-22-19(26-18)25-12-11-23-7-4-16(25)5-8-23/h1-3,9,13,16H,4-8,10-12H2/i20-1.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-(18F)fluoroethyl)indol-6-yl]-1,3,4-oxadiazole?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-(18F)fluoroethyl)indol-6-yl]-1,3,4-oxadiazole has a molecular weight of 354.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-[1-(2-(18F)fluoroethyl)indol-6-yl]-1,3,4-oxadiazole is sourced from PubChem (CID 71603239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).