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

C15H17FN4O — CID 23652776

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(N3CCN4CCC3CC4)o2)c1
InChIInChI=1S/C15H17FN4O/c16-12-3-1-2-11(10-12)14-17-18-15(21-14)20-9-8-19-6-4-13(20)5-7-19/h1-3,10,13H,4-9H2
InChIKeyZEKKXVUNZXKKHG-UHFFFAOYSA-N
MW288.33 g/mol
LogP2.16
Rot. Bonds2

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

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-1,3,4-oxadiazole (PubChem CID 23652776) has the molecular formula C15H17FN4O and a molecular weight of 288.33 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-1,3,4-oxadiazole
PubChem CID23652776
Molecular FormulaC15H17FN4O
Molecular Weight288.33 g/mol
Exact Mass288.14
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-1,3,4-oxadiazole
SMILESFc1cccc(-c2nnc(N3CCN4CCC3CC4)o2)c1
InChIInChI=1S/C15H17FN4O/c16-12-3-1-2-11(10-12)14-17-18-15(21-14)20-9-8-19-6-4-13(20)5-7-19/h1-3,10,13H,4-9H2
InChIKeyZEKKXVUNZXKKHG-UHFFFAOYSA-N
XLogP2.16
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.33
LogP ≤ 52.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-1,3,4-oxadiazole (CID 23652776) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-1,3,4-oxadiazole is Fc1cccc(-c2nnc(N3CCN4CCC3CC4)o2)c1.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-1,3,4-oxadiazole?
The InChIKey is ZEKKXVUNZXKKHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17FN4O/c16-12-3-1-2-11(10-12)14-17-18-15(21-14)20-9-8-19-6-4-13(20)5-7-19/h1-3,10,13H,4-9H2.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-1,3,4-oxadiazole?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-1,3,4-oxadiazole has a molecular weight of 288.33 g/mol, XLogP of 2.16, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3-fluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 23652776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).