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

C15H16F2N4O — CID 23652704

IUPAC2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3,4-difluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(N3CCN4CCC3CC4)o2)cc1F
InChIInChI=1S/C15H16F2N4O/c16-12-2-1-10(9-13(12)17)14-18-19-15(22-14)21-8-7-20-5-3-11(21)4-6-20/h1-2,9,11H,3-8H2
InChIKeyBXIKPRQFZWMROS-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.30
Rot. Bonds2

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

2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3,4-difluorophenyl)-1,3,4-oxadiazole (PubChem CID 23652704) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3,4-difluorophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3,4-difluorophenyl)-1,3,4-oxadiazole
PubChem CID23652704
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3,4-difluorophenyl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(N3CCN4CCC3CC4)o2)cc1F
InChIInChI=1S/C15H16F2N4O/c16-12-2-1-10(9-13(12)17)14-18-19-15(22-14)21-8-7-20-5-3-11(21)4-6-20/h1-2,9,11H,3-8H2
InChIKeyBXIKPRQFZWMROS-UHFFFAOYSA-N
XLogP2.30
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.30
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-(3,4-difluorophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3,4-difluorophenyl)-1,3,4-oxadiazole (CID 23652704) is 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3,4-difluorophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3,4-difluorophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3,4-difluorophenyl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(N3CCN4CCC3CC4)o2)cc1F.
What is the InChIKey of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3,4-difluorophenyl)-1,3,4-oxadiazole?
The InChIKey is BXIKPRQFZWMROS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c16-12-2-1-10(9-13(12)17)14-18-19-15(22-14)21-8-7-20-5-3-11(21)4-6-20/h1-2,9,11H,3-8H2.
What are the key properties of 2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3,4-difluorophenyl)-1,3,4-oxadiazole?
2-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-5-(3,4-difluorophenyl)-1,3,4-oxadiazole has a molecular weight of 306.32 g/mol, XLogP of 2.30, 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-(3,4-difluorophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 23652704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).