5-(2,4-difluorophenyl)-1,2-oxazol-3-one

C9H5F2NO2 — CID 19596554

IUPAC5-(2,4-difluorophenyl)-1,2-oxazol-3-one
SMILESO=c1cc(-c2ccc(F)cc2F)o[nH]1
InChIInChI=1S/C9H5F2NO2/c10-5-1-2-6(7(11)3-5)8-4-9(13)12-14-8/h1-4H,(H,12,13)
InChIKeyBLQAEZVOKGTPHG-UHFFFAOYSA-N
MW197.14 g/mol
LogP1.91
Rot. Bonds1

About 5-(2,4-difluorophenyl)-1,2-oxazol-3-one

5-(2,4-difluorophenyl)-1,2-oxazol-3-one (PubChem CID 19596554) has the molecular formula C9H5F2NO2 and a molecular weight of 197.14 g/mol. Its IUPAC name is 5-(2,4-difluorophenyl)-1,2-oxazol-3-one.

Molecular Properties

Compound Name5-(2,4-difluorophenyl)-1,2-oxazol-3-one
PubChem CID19596554
Molecular FormulaC9H5F2NO2
Molecular Weight197.14 g/mol
Exact Mass197.03
IUPAC Name5-(2,4-difluorophenyl)-1,2-oxazol-3-one
SMILESO=c1cc(-c2ccc(F)cc2F)o[nH]1
InChIInChI=1S/C9H5F2NO2/c10-5-1-2-6(7(11)3-5)8-4-9(13)12-14-8/h1-4H,(H,12,13)
InChIKeyBLQAEZVOKGTPHG-UHFFFAOYSA-N
XLogP1.91
TPSA46.00 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.14
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-difluorophenyl)-1,2-oxazol-3-one?
The IUPAC name of 5-(2,4-difluorophenyl)-1,2-oxazol-3-one (CID 19596554) is 5-(2,4-difluorophenyl)-1,2-oxazol-3-one.
What is the SMILES notation for 5-(2,4-difluorophenyl)-1,2-oxazol-3-one?
The canonical SMILES for 5-(2,4-difluorophenyl)-1,2-oxazol-3-one is O=c1cc(-c2ccc(F)cc2F)o[nH]1.
What is the InChIKey of 5-(2,4-difluorophenyl)-1,2-oxazol-3-one?
The InChIKey is BLQAEZVOKGTPHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO2/c10-5-1-2-6(7(11)3-5)8-4-9(13)12-14-8/h1-4H,(H,12,13).
What are the key properties of 5-(2,4-difluorophenyl)-1,2-oxazol-3-one?
5-(2,4-difluorophenyl)-1,2-oxazol-3-one has a molecular weight of 197.14 g/mol, XLogP of 1.91, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-difluorophenyl)-1,2-oxazol-3-one is sourced from PubChem (CID 19596554), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).