3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazolidin-5-one

C7H5F3N4O2 — CID 66582903

IUPAC3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazolidin-5-one
SMILESO=C1NC(c2ccnc(C(F)(F)F)n2)NO1
InChIInChI=1S/C7H5F3N4O2/c8-7(9,10)5-11-2-1-3(12-5)4-13-6(15)16-14-4/h1-2,4,14H,(H,13,15)
InChIKeyHZZWVAYEQZQRIJ-UHFFFAOYSA-N
MW234.14 g/mol
LogP0.74
Rot. Bonds1

About 3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazolidin-5-one

3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 66582903) has the molecular formula C7H5F3N4O2 and a molecular weight of 234.14 g/mol. Its IUPAC name is 3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID66582903
Molecular FormulaC7H5F3N4O2
Molecular Weight234.14 g/mol
Exact Mass234.04
IUPAC Name3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazolidin-5-one
SMILESO=C1NC(c2ccnc(C(F)(F)F)n2)NO1
InChIInChI=1S/C7H5F3N4O2/c8-7(9,10)5-11-2-1-3(12-5)4-13-6(15)16-14-4/h1-2,4,14H,(H,13,15)
InChIKeyHZZWVAYEQZQRIJ-UHFFFAOYSA-N
XLogP0.74
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.14
LogP ≤ 50.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazolidin-5-one?
The IUPAC name of 3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazolidin-5-one (CID 66582903) is 3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazolidin-5-one.
What is the SMILES notation for 3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for 3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazolidin-5-one is O=C1NC(c2ccnc(C(F)(F)F)n2)NO1.
What is the InChIKey of 3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is HZZWVAYEQZQRIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5F3N4O2/c8-7(9,10)5-11-2-1-3(12-5)4-13-6(15)16-14-4/h1-2,4,14H,(H,13,15).
What are the key properties of 3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazolidin-5-one?
3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 234.14 g/mol, XLogP of 0.74, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(trifluoromethyl)pyrimidin-4-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 66582903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).