2-(4-fluorophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

C18H18FN5O — CID 15990229

IUPAC2-(4-fluorophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(CN3CCN(c4ccccn4)CC3)o2)cc1
InChIInChI=1S/C18H18FN5O/c19-15-6-4-14(5-7-15)18-22-21-17(25-18)13-23-9-11-24(12-10-23)16-3-1-2-8-20-16/h1-8H,9-13H2
InChIKeyZGDFWMWSDPAGNA-UHFFFAOYSA-N
MW339.37 g/mol
LogP2.59
Rot. Bonds4

About 2-(4-fluorophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole

2-(4-fluorophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (PubChem CID 15990229) has the molecular formula C18H18FN5O and a molecular weight of 339.37 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
PubChem CID15990229
Molecular FormulaC18H18FN5O
Molecular Weight339.37 g/mol
Exact Mass339.15
IUPAC Name2-(4-fluorophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(CN3CCN(c4ccccn4)CC3)o2)cc1
InChIInChI=1S/C18H18FN5O/c19-15-6-4-14(5-7-15)18-22-21-17(25-18)13-23-9-11-24(12-10-23)16-3-1-2-8-20-16/h1-8H,9-13H2
InChIKeyZGDFWMWSDPAGNA-UHFFFAOYSA-N
XLogP2.59
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.37
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole (CID 15990229) is 2-(4-fluorophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is Fc1ccc(-c2nnc(CN3CCN(c4ccccn4)CC3)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
The InChIKey is ZGDFWMWSDPAGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18FN5O/c19-15-6-4-14(5-7-15)18-22-21-17(25-18)13-23-9-11-24(12-10-23)16-3-1-2-8-20-16/h1-8H,9-13H2.
What are the key properties of 2-(4-fluorophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole has a molecular weight of 339.37 g/mol, XLogP of 2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,3,4-oxadiazole is sourced from PubChem (CID 15990229), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).