N-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-oxazole-4-carboxamide

C12H14N6O2 — CID 158806788

IUPACN-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cnc(N2CCNCC2)nc1)c1cocn1
InChIInChI=1S/C12H14N6O2/c19-11(10-7-20-8-16-10)17-9-5-14-12(15-6-9)18-3-1-13-2-4-18/h5-8,13H,1-4H2,(H,17,19)
InChIKeyIUEDFIIVABHWHA-UHFFFAOYSA-N
MW274.28 g/mol
LogP0.13
Rot. Bonds3

About N-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-oxazole-4-carboxamide

N-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-oxazole-4-carboxamide (PubChem CID 158806788) has the molecular formula C12H14N6O2 and a molecular weight of 274.28 g/mol. Its IUPAC name is N-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-oxazole-4-carboxamide
PubChem CID158806788
Molecular FormulaC12H14N6O2
Molecular Weight274.28 g/mol
Exact Mass274.12
IUPAC NameN-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cnc(N2CCNCC2)nc1)c1cocn1
InChIInChI=1S/C12H14N6O2/c19-11(10-7-20-8-16-10)17-9-5-14-12(15-6-9)18-3-1-13-2-4-18/h5-8,13H,1-4H2,(H,17,19)
InChIKeyIUEDFIIVABHWHA-UHFFFAOYSA-N
XLogP0.13
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.28
LogP ≤ 50.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-oxazole-4-carboxamide (CID 158806788) is N-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-oxazole-4-carboxamide is O=C(Nc1cnc(N2CCNCC2)nc1)c1cocn1.
What is the InChIKey of N-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-oxazole-4-carboxamide?
The InChIKey is IUEDFIIVABHWHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N6O2/c19-11(10-7-20-8-16-10)17-9-5-14-12(15-6-9)18-3-1-13-2-4-18/h5-8,13H,1-4H2,(H,17,19).
What are the key properties of N-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-oxazole-4-carboxamide?
N-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-oxazole-4-carboxamide has a molecular weight of 274.28 g/mol, XLogP of 0.13, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-piperazin-1-ylpyrimidin-5-yl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 158806788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).