(5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone

C14H12FNO4S — CID 54030727

IUPAC(5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2cnoc2C2CC2)c(F)c1
InChIInChI=1S/C14H12FNO4S/c1-21(18,19)9-4-5-10(12(15)6-9)13(17)11-7-16-20-14(11)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyLFKAGAZTDFHXOL-UHFFFAOYSA-N
MW309.32 g/mol
LogP2.33
Rot. Bonds4

About (5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone

(5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone (PubChem CID 54030727) has the molecular formula C14H12FNO4S and a molecular weight of 309.32 g/mol. Its IUPAC name is (5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone.

Molecular Properties

Compound Name(5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone
PubChem CID54030727
Molecular FormulaC14H12FNO4S
Molecular Weight309.32 g/mol
Exact Mass309.05
IUPAC Name(5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone
SMILESCS(=O)(=O)c1ccc(C(=O)c2cnoc2C2CC2)c(F)c1
InChIInChI=1S/C14H12FNO4S/c1-21(18,19)9-4-5-10(12(15)6-9)13(17)11-7-16-20-14(11)8-2-3-8/h4-8H,2-3H2,1H3
InChIKeyLFKAGAZTDFHXOL-UHFFFAOYSA-N
XLogP2.33
TPSA77.24 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.32
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone?
The IUPAC name of (5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone (CID 54030727) is (5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone.
What is the SMILES notation for (5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone?
The canonical SMILES for (5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone is CS(=O)(=O)c1ccc(C(=O)c2cnoc2C2CC2)c(F)c1.
What is the InChIKey of (5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone?
The InChIKey is LFKAGAZTDFHXOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12FNO4S/c1-21(18,19)9-4-5-10(12(15)6-9)13(17)11-7-16-20-14(11)8-2-3-8/h4-8H,2-3H2,1H3.
What are the key properties of (5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone?
(5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone has a molecular weight of 309.32 g/mol, XLogP of 2.33, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-cyclopropyl-1,2-oxazol-4-yl)-(2-fluoro-4-methylsulfonylphenyl)methanone is sourced from PubChem (CID 54030727), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).