2-(2-fluorophenyl)-1,3-oxazole-4,5-dione

C9H4FNO3 — CID 22157830

IUPAC2-(2-fluorophenyl)-1,3-oxazole-4,5-dione
SMILESO=C1N=C(c2ccccc2F)OC1=O
InChIInChI=1S/C9H4FNO3/c10-6-4-2-1-3-5(6)8-11-7(12)9(13)14-8/h1-4H
InChIKeyVJXQNCVWUMUXSC-UHFFFAOYSA-N
MW193.13 g/mol
LogP0.66
Rot. Bonds1

About 2-(2-fluorophenyl)-1,3-oxazole-4,5-dione

2-(2-fluorophenyl)-1,3-oxazole-4,5-dione (PubChem CID 22157830) has the molecular formula C9H4FNO3 and a molecular weight of 193.13 g/mol. Its IUPAC name is 2-(2-fluorophenyl)-1,3-oxazole-4,5-dione.

Molecular Properties

Compound Name2-(2-fluorophenyl)-1,3-oxazole-4,5-dione
PubChem CID22157830
Molecular FormulaC9H4FNO3
Molecular Weight193.13 g/mol
Exact Mass193.02
IUPAC Name2-(2-fluorophenyl)-1,3-oxazole-4,5-dione
SMILESO=C1N=C(c2ccccc2F)OC1=O
InChIInChI=1S/C9H4FNO3/c10-6-4-2-1-3-5(6)8-11-7(12)9(13)14-8/h1-4H
InChIKeyVJXQNCVWUMUXSC-UHFFFAOYSA-N
XLogP0.66
TPSA55.73 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 50.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2-fluorophenyl)-1,3-oxazole-4,5-dione?
The IUPAC name of 2-(2-fluorophenyl)-1,3-oxazole-4,5-dione (CID 22157830) is 2-(2-fluorophenyl)-1,3-oxazole-4,5-dione.
What is the SMILES notation for 2-(2-fluorophenyl)-1,3-oxazole-4,5-dione?
The canonical SMILES for 2-(2-fluorophenyl)-1,3-oxazole-4,5-dione is O=C1N=C(c2ccccc2F)OC1=O.
What is the InChIKey of 2-(2-fluorophenyl)-1,3-oxazole-4,5-dione?
The InChIKey is VJXQNCVWUMUXSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H4FNO3/c10-6-4-2-1-3-5(6)8-11-7(12)9(13)14-8/h1-4H.
What are the key properties of 2-(2-fluorophenyl)-1,3-oxazole-4,5-dione?
2-(2-fluorophenyl)-1,3-oxazole-4,5-dione has a molecular weight of 193.13 g/mol, XLogP of 0.66, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluorophenyl)-1,3-oxazole-4,5-dione is sourced from PubChem (CID 22157830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).