4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole

C16H17N5OS — CID 9317632

IUPAC4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESc1cnc(N2CCN(Cc3coc(-c4cccs4)n3)CC2)nc1
InChIInChI=1S/C16H17N5OS/c1-3-14(23-10-1)15-19-13(12-22-15)11-20-6-8-21(9-7-20)16-17-4-2-5-18-16/h1-5,10,12H,6-9,11H2
InChIKeyOAGUIBFLNLUTAO-UHFFFAOYSA-N
MW327.41 g/mol
LogP2.52
Rot. Bonds4

About 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole

4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole (PubChem CID 9317632) has the molecular formula C16H17N5OS and a molecular weight of 327.41 g/mol. Its IUPAC name is 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole.

Molecular Properties

Compound Name4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
PubChem CID9317632
Molecular FormulaC16H17N5OS
Molecular Weight327.41 g/mol
Exact Mass327.12
IUPAC Name4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole
SMILESc1cnc(N2CCN(Cc3coc(-c4cccs4)n3)CC2)nc1
InChIInChI=1S/C16H17N5OS/c1-3-14(23-10-1)15-19-13(12-22-15)11-20-6-8-21(9-7-20)16-17-4-2-5-18-16/h1-5,10,12H,6-9,11H2
InChIKeyOAGUIBFLNLUTAO-UHFFFAOYSA-N
XLogP2.52
TPSA58.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.41
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The IUPAC name of 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole (CID 9317632) is 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole.
What is the SMILES notation for 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The canonical SMILES for 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole is c1cnc(N2CCN(Cc3coc(-c4cccs4)n3)CC2)nc1.
What is the InChIKey of 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
The InChIKey is OAGUIBFLNLUTAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N5OS/c1-3-14(23-10-1)15-19-13(12-22-15)11-20-6-8-21(9-7-20)16-17-4-2-5-18-16/h1-5,10,12H,6-9,11H2.
What are the key properties of 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole?
4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole has a molecular weight of 327.41 g/mol, XLogP of 2.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-pyrimidin-2-ylpiperazin-1-yl)methyl]-2-thiophen-2-yl-1,3-oxazole is sourced from PubChem (CID 9317632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).