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

C13H13F3N6O2 — CID 161311002

IUPACN-(2-piperazin-1-ylpyrimidin-5-yl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cnc(N2CCNCC2)nc1)c1ncoc1C(F)(F)F
InChIInChI=1S/C13H13F3N6O2/c14-13(15,16)10-9(20-7-24-10)11(23)21-8-5-18-12(19-6-8)22-3-1-17-2-4-22/h5-7,17H,1-4H2,(H,21,23)
InChIKeyVIWRGPAXCZNOEH-UHFFFAOYSA-N
MW342.28 g/mol
LogP1.15
Rot. Bonds3

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

N-(2-piperazin-1-ylpyrimidin-5-yl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (PubChem CID 161311002) has the molecular formula C13H13F3N6O2 and a molecular weight of 342.28 g/mol. Its IUPAC name is N-(2-piperazin-1-ylpyrimidin-5-yl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-piperazin-1-ylpyrimidin-5-yl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
PubChem CID161311002
Molecular FormulaC13H13F3N6O2
Molecular Weight342.28 g/mol
Exact Mass342.11
IUPAC NameN-(2-piperazin-1-ylpyrimidin-5-yl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide
SMILESO=C(Nc1cnc(N2CCNCC2)nc1)c1ncoc1C(F)(F)F
InChIInChI=1S/C13H13F3N6O2/c14-13(15,16)10-9(20-7-24-10)11(23)21-8-5-18-12(19-6-8)22-3-1-17-2-4-22/h5-7,17H,1-4H2,(H,21,23)
InChIKeyVIWRGPAXCZNOEH-UHFFFAOYSA-N
XLogP1.15
TPSA96.18 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.28
LogP ≤ 51.15
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)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The IUPAC name of N-(2-piperazin-1-ylpyrimidin-5-yl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide (CID 161311002) is N-(2-piperazin-1-ylpyrimidin-5-yl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide.
What is the SMILES notation for N-(2-piperazin-1-ylpyrimidin-5-yl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The canonical SMILES for N-(2-piperazin-1-ylpyrimidin-5-yl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is O=C(Nc1cnc(N2CCNCC2)nc1)c1ncoc1C(F)(F)F.
What is the InChIKey of N-(2-piperazin-1-ylpyrimidin-5-yl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
The InChIKey is VIWRGPAXCZNOEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N6O2/c14-13(15,16)10-9(20-7-24-10)11(23)21-8-5-18-12(19-6-8)22-3-1-17-2-4-22/h5-7,17H,1-4H2,(H,21,23).
What are the key properties of N-(2-piperazin-1-ylpyrimidin-5-yl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide?
N-(2-piperazin-1-ylpyrimidin-5-yl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide has a molecular weight of 342.28 g/mol, XLogP of 1.15, 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)-5-(trifluoromethyl)-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 161311002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).