4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole

C10H8FNO3S — CID 176859698

IUPAC4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(F)cc1-c1cocn1
InChIInChI=1S/C10H8FNO3S/c1-16(13,14)10-3-2-7(11)4-8(10)9-5-15-6-12-9/h2-6H,1H3
InChIKeyCYWQSKRNJKGMBY-UHFFFAOYSA-N
MW241.24 g/mol
LogP1.88
Rot. Bonds2

About 4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole

4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole (PubChem CID 176859698) has the molecular formula C10H8FNO3S and a molecular weight of 241.24 g/mol. Its IUPAC name is 4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole
PubChem CID176859698
Molecular FormulaC10H8FNO3S
Molecular Weight241.24 g/mol
Exact Mass241.02
IUPAC Name4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole
SMILESCS(=O)(=O)c1ccc(F)cc1-c1cocn1
InChIInChI=1S/C10H8FNO3S/c1-16(13,14)10-3-2-7(11)4-8(10)9-5-15-6-12-9/h2-6H,1H3
InChIKeyCYWQSKRNJKGMBY-UHFFFAOYSA-N
XLogP1.88
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.24
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole?
The IUPAC name of 4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole (CID 176859698) is 4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole.
What is the SMILES notation for 4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole?
The canonical SMILES for 4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole is CS(=O)(=O)c1ccc(F)cc1-c1cocn1.
What is the InChIKey of 4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole?
The InChIKey is CYWQSKRNJKGMBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FNO3S/c1-16(13,14)10-3-2-7(11)4-8(10)9-5-15-6-12-9/h2-6H,1H3.
What are the key properties of 4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole?
4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole has a molecular weight of 241.24 g/mol, XLogP of 1.88, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole is sourced from PubChem (CID 176859698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).