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

C15H17ClN4O — CID 10040739

IUPAC2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(N3CCN4CCC3CC4)o2)cc1
InChIInChI=1S/C15H17ClN4O/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
InChIKeyFSQJLWBCAJDHEK-UHFFFAOYSA-N
MW304.78 g/mol
LogP2.67
Rot. Bonds2

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

2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole (PubChem CID 10040739) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole
PubChem CID10040739
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole
SMILESClc1ccc(-c2nnc(N3CCN4CCC3CC4)o2)cc1
InChIInChI=1S/C15H17ClN4O/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
InChIKeyFSQJLWBCAJDHEK-UHFFFAOYSA-N
XLogP2.67
TPSA45.40 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 52.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole (CID 10040739) is 2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole is Clc1ccc(-c2nnc(N3CCN4CCC3CC4)o2)cc1.
What is the InChIKey of 2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole?
The InChIKey is FSQJLWBCAJDHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/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.
What are the key properties of 2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole?
2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole has a molecular weight of 304.78 g/mol, XLogP of 2.67, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(1,4-diazabicyclo[3.2.2]nonan-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 10040739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).