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

C9H5F2NO2 — CID 130170898

IUPAC3-(2,5-difluorophenyl)-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2cc(F)ccc2F)[nH]o1
InChIInChI=1S/C9H5F2NO2/c10-5-1-2-7(11)6(3-5)8-4-9(13)14-12-8/h1-4,12H
InChIKeyMDDWTJUGZFQNOV-UHFFFAOYSA-N
MW197.14 g/mol
LogP1.91
Rot. Bonds1

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

3-(2,5-difluorophenyl)-2H-1,2-oxazol-5-one (PubChem CID 130170898) has the molecular formula C9H5F2NO2 and a molecular weight of 197.14 g/mol. Its IUPAC name is 3-(2,5-difluorophenyl)-2H-1,2-oxazol-5-one.

Molecular Properties

Compound Name3-(2,5-difluorophenyl)-2H-1,2-oxazol-5-one
PubChem CID130170898
Molecular FormulaC9H5F2NO2
Molecular Weight197.14 g/mol
Exact Mass197.03
IUPAC Name3-(2,5-difluorophenyl)-2H-1,2-oxazol-5-one
SMILESO=c1cc(-c2cc(F)ccc2F)[nH]o1
InChIInChI=1S/C9H5F2NO2/c10-5-1-2-7(11)6(3-5)8-4-9(13)14-12-8/h1-4,12H
InChIKeyMDDWTJUGZFQNOV-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 3-(2,5-difluorophenyl)-2H-1,2-oxazol-5-one?
The IUPAC name of 3-(2,5-difluorophenyl)-2H-1,2-oxazol-5-one (CID 130170898) is 3-(2,5-difluorophenyl)-2H-1,2-oxazol-5-one.
What is the SMILES notation for 3-(2,5-difluorophenyl)-2H-1,2-oxazol-5-one?
The canonical SMILES for 3-(2,5-difluorophenyl)-2H-1,2-oxazol-5-one is O=c1cc(-c2cc(F)ccc2F)[nH]o1.
What is the InChIKey of 3-(2,5-difluorophenyl)-2H-1,2-oxazol-5-one?
The InChIKey is MDDWTJUGZFQNOV-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H5F2NO2/c10-5-1-2-7(11)6(3-5)8-4-9(13)14-12-8/h1-4,12H.
What are the key properties of 3-(2,5-difluorophenyl)-2H-1,2-oxazol-5-one?
3-(2,5-difluorophenyl)-2H-1,2-oxazol-5-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 3-(2,5-difluorophenyl)-2H-1,2-oxazol-5-one is sourced from PubChem (CID 130170898), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).