5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

C9H6FN3O5 — CID 63559199

IUPAC5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(Cn2cc(F)c(=O)[nH]c2=O)on1
InChIInChI=1S/C9H6FN3O5/c10-5-3-13(9(17)11-7(5)14)2-4-1-6(8(15)16)12-18-4/h1,3H,2H2,(H,15,16)(H,11,14,17)
InChIKeyCQUDIFSTFHFDGH-UHFFFAOYSA-N
MW255.16 g/mol
LogP-0.59
Rot. Bonds3

About 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid

5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 63559199) has the molecular formula C9H6FN3O5 and a molecular weight of 255.16 g/mol. Its IUPAC name is 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID63559199
Molecular FormulaC9H6FN3O5
Molecular Weight255.16 g/mol
Exact Mass255.03
IUPAC Name5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(Cn2cc(F)c(=O)[nH]c2=O)on1
InChIInChI=1S/C9H6FN3O5/c10-5-3-13(9(17)11-7(5)14)2-4-1-6(8(15)16)12-18-4/h1,3H,2H2,(H,15,16)(H,11,14,17)
InChIKeyCQUDIFSTFHFDGH-UHFFFAOYSA-N
XLogP-0.59
TPSA118.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.16
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid (CID 63559199) is 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(Cn2cc(F)c(=O)[nH]c2=O)on1.
What is the InChIKey of 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is CQUDIFSTFHFDGH-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6FN3O5/c10-5-3-13(9(17)11-7(5)14)2-4-1-6(8(15)16)12-18-4/h1,3H,2H2,(H,15,16)(H,11,14,17).
What are the key properties of 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid?
5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 255.16 g/mol, XLogP of -0.59, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-fluoro-2,4-dioxopyrimidin-1-yl)methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 63559199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).