4-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]benzene-1,3-diol

C17H17N5O3 — CID 162659423

IUPAC4-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)c(O)c1
InChIInChI=1S/C17H17N5O3/c23-12-4-5-13(14(24)11-12)16-19-20-17(25-16)22-9-7-21(8-10-22)15-3-1-2-6-18-15/h1-6,11,23-24H,7-10H2
InChIKeyUXAIEWGYPKPAOR-UHFFFAOYSA-N
MW339.36 g/mol
LogP1.87
Rot. Bonds3

About 4-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]benzene-1,3-diol

4-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]benzene-1,3-diol (PubChem CID 162659423) has the molecular formula C17H17N5O3 and a molecular weight of 339.36 g/mol. Its IUPAC name is 4-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]benzene-1,3-diol.

Molecular Properties

Compound Name4-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]benzene-1,3-diol
PubChem CID162659423
Molecular FormulaC17H17N5O3
Molecular Weight339.36 g/mol
Exact Mass339.13
IUPAC Name4-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]benzene-1,3-diol
SMILESOc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)c(O)c1
InChIInChI=1S/C17H17N5O3/c23-12-4-5-13(14(24)11-12)16-19-20-17(25-16)22-9-7-21(8-10-22)15-3-1-2-6-18-15/h1-6,11,23-24H,7-10H2
InChIKeyUXAIEWGYPKPAOR-UHFFFAOYSA-N
XLogP1.87
TPSA98.75 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.36
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]benzene-1,3-diol?
The IUPAC name of 4-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]benzene-1,3-diol (CID 162659423) is 4-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]benzene-1,3-diol.
What is the SMILES notation for 4-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]benzene-1,3-diol?
The canonical SMILES for 4-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]benzene-1,3-diol is Oc1ccc(-c2nnc(N3CCN(c4ccccn4)CC3)o2)c(O)c1.
What is the InChIKey of 4-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]benzene-1,3-diol?
The InChIKey is UXAIEWGYPKPAOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17N5O3/c23-12-4-5-13(14(24)11-12)16-19-20-17(25-16)22-9-7-21(8-10-22)15-3-1-2-6-18-15/h1-6,11,23-24H,7-10H2.
What are the key properties of 4-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]benzene-1,3-diol?
4-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]benzene-1,3-diol has a molecular weight of 339.36 g/mol, XLogP of 1.87, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-pyridin-2-ylpiperazin-1-yl)-1,3,4-oxadiazol-2-yl]benzene-1,3-diol is sourced from PubChem (CID 162659423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).