3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

C16H17N5O2S — CID 35945329

IUPAC3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2cccs2)nn1CN1CCN(c2ccncc2)CC1
InChIInChI=1S/C16H17N5O2S/c22-16-21(18-15(23-16)14-2-1-11-24-14)12-19-7-9-20(10-8-19)13-3-5-17-6-4-13/h1-6,11H,7-10,12H2
InChIKeyOARWUAUSMLGENE-UHFFFAOYSA-N
MW343.41 g/mol
LogP1.74
Rot. Bonds4

About 3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one

3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one (PubChem CID 35945329) has the molecular formula C16H17N5O2S and a molecular weight of 343.41 g/mol. Its IUPAC name is 3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one.

Molecular Properties

Compound Name3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
PubChem CID35945329
Molecular FormulaC16H17N5O2S
Molecular Weight343.41 g/mol
Exact Mass343.11
IUPAC Name3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one
SMILESO=c1oc(-c2cccs2)nn1CN1CCN(c2ccncc2)CC1
InChIInChI=1S/C16H17N5O2S/c22-16-21(18-15(23-16)14-2-1-11-24-14)12-19-7-9-20(10-8-19)13-3-5-17-6-4-13/h1-6,11H,7-10,12H2
InChIKeyOARWUAUSMLGENE-UHFFFAOYSA-N
XLogP1.74
TPSA67.40 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.41
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The IUPAC name of 3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one (CID 35945329) is 3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one.
What is the SMILES notation for 3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The canonical SMILES for 3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one is O=c1oc(-c2cccs2)nn1CN1CCN(c2ccncc2)CC1.
What is the InChIKey of 3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
The InChIKey is OARWUAUSMLGENE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5O2S/c22-16-21(18-15(23-16)14-2-1-11-24-14)12-19-7-9-20(10-8-19)13-3-5-17-6-4-13/h1-6,11H,7-10,12H2.
What are the key properties of 3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one?
3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one has a molecular weight of 343.41 g/mol, XLogP of 1.74, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-pyridin-4-ylpiperazin-1-yl)methyl]-5-thiophen-2-yl-1,3,4-oxadiazol-2-one is sourced from PubChem (CID 35945329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).