1-[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone

C11H8FNO2S — CID 106922996

IUPAC1-[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
SMILESCC(=O)c1ccc(Sc2ncco2)c(F)c1
InChIInChI=1S/C11H8FNO2S/c1-7(14)8-2-3-10(9(12)6-8)16-11-13-4-5-15-11/h2-6H,1H3
InChIKeyLJBAIEXASHWLIE-UHFFFAOYSA-N
MW237.25 g/mol
LogP3.17
Rot. Bonds3

About 1-[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone

1-[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone (PubChem CID 106922996) has the molecular formula C11H8FNO2S and a molecular weight of 237.25 g/mol. Its IUPAC name is 1-[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone.

Molecular Properties

Compound Name1-[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
PubChem CID106922996
Molecular FormulaC11H8FNO2S
Molecular Weight237.25 g/mol
Exact Mass237.03
IUPAC Name1-[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone
SMILESCC(=O)c1ccc(Sc2ncco2)c(F)c1
InChIInChI=1S/C11H8FNO2S/c1-7(14)8-2-3-10(9(12)6-8)16-11-13-4-5-15-11/h2-6H,1H3
InChIKeyLJBAIEXASHWLIE-UHFFFAOYSA-N
XLogP3.17
TPSA43.10 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.25
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone?
The IUPAC name of 1-[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone (CID 106922996) is 1-[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone.
What is the SMILES notation for 1-[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone?
The canonical SMILES for 1-[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone is CC(=O)c1ccc(Sc2ncco2)c(F)c1.
What is the InChIKey of 1-[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone?
The InChIKey is LJBAIEXASHWLIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8FNO2S/c1-7(14)8-2-3-10(9(12)6-8)16-11-13-4-5-15-11/h2-6H,1H3.
What are the key properties of 1-[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone?
1-[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone has a molecular weight of 237.25 g/mol, XLogP of 3.17, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-fluoro-4-(1,3-oxazol-2-ylsulfanyl)phenyl]ethanone is sourced from PubChem (CID 106922996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).