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

C8H6FN3O4 — CID 106422411

IUPAC5-fluoro-6-hydroxy-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccno2)c(O)c1F
InChIInChI=1S/C8H6FN3O4/c9-5-6(13)11-8(15)12(7(5)14)3-4-1-2-10-16-4/h1-2,14H,3H2,(H,11,13,15)
InChIKeyMEQLQEXIEUKDJK-UHFFFAOYSA-N
MW227.15 g/mol
LogP-0.58
Rot. Bonds2

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

5-fluoro-6-hydroxy-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione (PubChem CID 106422411) has the molecular formula C8H6FN3O4 and a molecular weight of 227.15 g/mol. Its IUPAC name is 5-fluoro-6-hydroxy-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione.

Molecular Properties

Compound Name5-fluoro-6-hydroxy-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
PubChem CID106422411
Molecular FormulaC8H6FN3O4
Molecular Weight227.15 g/mol
Exact Mass227.03
IUPAC Name5-fluoro-6-hydroxy-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione
SMILESO=c1[nH]c(=O)n(Cc2ccno2)c(O)c1F
InChIInChI=1S/C8H6FN3O4/c9-5-6(13)11-8(15)12(7(5)14)3-4-1-2-10-16-4/h1-2,14H,3H2,(H,11,13,15)
InChIKeyMEQLQEXIEUKDJK-UHFFFAOYSA-N
XLogP-0.58
TPSA101.12 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.15
LogP ≤ 5-0.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-6-hydroxy-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
The IUPAC name of 5-fluoro-6-hydroxy-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione (CID 106422411) is 5-fluoro-6-hydroxy-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione.
What is the SMILES notation for 5-fluoro-6-hydroxy-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
The canonical SMILES for 5-fluoro-6-hydroxy-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione is O=c1[nH]c(=O)n(Cc2ccno2)c(O)c1F.
What is the InChIKey of 5-fluoro-6-hydroxy-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
The InChIKey is MEQLQEXIEUKDJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H6FN3O4/c9-5-6(13)11-8(15)12(7(5)14)3-4-1-2-10-16-4/h1-2,14H,3H2,(H,11,13,15).
What are the key properties of 5-fluoro-6-hydroxy-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione?
5-fluoro-6-hydroxy-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione has a molecular weight of 227.15 g/mol, XLogP of -0.58, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-6-hydroxy-1-(1,2-oxazol-5-ylmethyl)pyrimidine-2,4-dione is sourced from PubChem (CID 106422411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).