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

C12H12FNO3S — CID 176859168

IUPAC5-ethyl-4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole
SMILESCCc1ocnc1-c1cc(F)ccc1S(C)(=O)=O
InChIInChI=1S/C12H12FNO3S/c1-3-10-12(14-7-17-10)9-6-8(13)4-5-11(9)18(2,15)16/h4-7H,3H2,1-2H3
InChIKeyHNCVWHMGJHNBEB-UHFFFAOYSA-N
MW269.30 g/mol
LogP2.45
Rot. Bonds3

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

5-ethyl-4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole (PubChem CID 176859168) has the molecular formula C12H12FNO3S and a molecular weight of 269.30 g/mol. Its IUPAC name is 5-ethyl-4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole.

Molecular Properties

Compound Name5-ethyl-4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole
PubChem CID176859168
Molecular FormulaC12H12FNO3S
Molecular Weight269.30 g/mol
Exact Mass269.05
IUPAC Name5-ethyl-4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole
SMILESCCc1ocnc1-c1cc(F)ccc1S(C)(=O)=O
InChIInChI=1S/C12H12FNO3S/c1-3-10-12(14-7-17-10)9-6-8(13)4-5-11(9)18(2,15)16/h4-7H,3H2,1-2H3
InChIKeyHNCVWHMGJHNBEB-UHFFFAOYSA-N
XLogP2.45
TPSA60.17 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.30
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole?
The IUPAC name of 5-ethyl-4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole (CID 176859168) is 5-ethyl-4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole.
What is the SMILES notation for 5-ethyl-4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole?
The canonical SMILES for 5-ethyl-4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole is CCc1ocnc1-c1cc(F)ccc1S(C)(=O)=O.
What is the InChIKey of 5-ethyl-4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole?
The InChIKey is HNCVWHMGJHNBEB-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12FNO3S/c1-3-10-12(14-7-17-10)9-6-8(13)4-5-11(9)18(2,15)16/h4-7H,3H2,1-2H3.
What are the key properties of 5-ethyl-4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole?
5-ethyl-4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole has a molecular weight of 269.30 g/mol, XLogP of 2.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-4-(5-fluoro-2-methylsulfonylphenyl)-1,3-oxazole is sourced from PubChem (CID 176859168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).