5-fluoro-6-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione

C8H7FN4O4 — CID 106410170

IUPAC5-fluoro-6-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCc2ncon2)c(O)c1F
InChIInChI=1S/C8H7FN4O4/c9-5-6(14)11-8(16)13(7(5)15)2-1-4-10-3-17-12-4/h3,15H,1-2H2,(H,11,14,16)
InChIKeyPAKHHDREPQZDCQ-UHFFFAOYSA-N
MW242.17 g/mol
LogP-0.99
Rot. Bonds3

About 5-fluoro-6-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione (PubChem CID 106410170) has the molecular formula C8H7FN4O4 and a molecular weight of 242.17 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione
PubChem CID106410170
Molecular FormulaC8H7FN4O4
Molecular Weight242.17 g/mol
Exact Mass242.05
IUPAC Name5-fluoro-6-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(CCc2ncon2)c(O)c1F
InChIInChI=1S/C8H7FN4O4/c9-5-6(14)11-8(16)13(7(5)15)2-1-4-10-3-17-12-4/h3,15H,1-2H2,(H,11,14,16)
InChIKeyPAKHHDREPQZDCQ-UHFFFAOYSA-N
XLogP-0.99
TPSA114.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.17
LogP ≤ 5-0.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione (CID 106410170) is 5-fluoro-6-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione is O=c1[nH]c(=O)n(CCc2ncon2)c(O)c1F.
What is the InChIKey of 5-fluoro-6-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione?
The InChIKey is PAKHHDREPQZDCQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7FN4O4/c9-5-6(14)11-8(16)13(7(5)15)2-1-4-10-3-17-12-4/h3,15H,1-2H2,(H,11,14,16).
What are the key properties of 5-fluoro-6-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione has a molecular weight of 242.17 g/mol, XLogP of -0.99, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-[2-(1,2,4-oxadiazol-3-yl)ethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 106410170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).