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

C17H16FN5O — CID 162659720

IUPAC2-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1
InChIInChI=1S/C17H16FN5O/c18-14-6-4-13(5-7-14)16-20-21-17(24-16)23-11-9-22(10-12-23)15-3-1-2-8-19-15/h1-8H,9-12H2
InChIKeyZXRSUUCBQJQXFN-UHFFFAOYSA-N
MW325.35 g/mol
LogP2.60
Rot. Bonds3

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

2-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole (PubChem CID 162659720) has the molecular formula C17H16FN5O and a molecular weight of 325.35 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
PubChem CID162659720
Molecular FormulaC17H16FN5O
Molecular Weight325.35 g/mol
Exact Mass325.13
IUPAC Name2-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole
SMILESFc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1
InChIInChI=1S/C17H16FN5O/c18-14-6-4-13(5-7-14)16-20-21-17(24-16)23-11-9-22(10-12-23)15-3-1-2-8-19-15/h1-8H,9-12H2
InChIKeyZXRSUUCBQJQXFN-UHFFFAOYSA-N
XLogP2.60
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.35
LogP ≤ 52.60
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)-1,3,4-oxadiazole?
The IUPAC name of 2-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole (CID 162659720) is 2-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole is Fc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
The InChIKey is ZXRSUUCBQJQXFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16FN5O/c18-14-6-4-13(5-7-14)16-20-21-17(24-16)23-11-9-22(10-12-23)15-3-1-2-8-19-15/h1-8H,9-12H2.
What are the key properties of 2-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole?
2-(4-fluorophenyl)-5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazole has a molecular weight of 325.35 g/mol, XLogP of 2.60, 3 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)-1,3,4-oxadiazole is sourced from PubChem (CID 162659720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).