5-fluoro-6-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione

C7H5FN4O4 — CID 106410086

IUPAC5-fluoro-6-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ncon2)c(O)c1F
InChIInChI=1S/C7H5FN4O4/c8-4-5(13)10-7(15)12(6(4)14)1-3-9-2-16-11-3/h2,14H,1H2,(H,10,13,15)
InChIKeyVZYBGJXOKSSKIK-UHFFFAOYSA-N
MW228.14 g/mol
LogP-1.19
Rot. Bonds2

About 5-fluoro-6-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione

5-fluoro-6-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione (PubChem CID 106410086) has the molecular formula C7H5FN4O4 and a molecular weight of 228.14 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
PubChem CID106410086
Molecular FormulaC7H5FN4O4
Molecular Weight228.14 g/mol
Exact Mass228.03
IUPAC Name5-fluoro-6-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ncon2)c(O)c1F
InChIInChI=1S/C7H5FN4O4/c8-4-5(13)10-7(15)12(6(4)14)1-3-9-2-16-11-3/h2,14H,1H2,(H,10,13,15)
InChIKeyVZYBGJXOKSSKIK-UHFFFAOYSA-N
XLogP-1.19
TPSA114.01 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.14
LogP ≤ 5-1.19
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-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione (CID 106410086) is 5-fluoro-6-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ncon2)c(O)c1F.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is VZYBGJXOKSSKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5FN4O4/c8-4-5(13)10-7(15)12(6(4)14)1-3-9-2-16-11-3/h2,14H,1H2,(H,10,13,15).
What are the key properties of 5-fluoro-6-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 228.14 g/mol, XLogP of -1.19, 2 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-(1,2,4-oxadiazol-3-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106410086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).