4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine

C10H9FN2O3S — CID 117393713

IUPAC4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
SMILESCS(=O)(=O)c1ccc(-c2cnoc2N)c(F)c1
InChIInChI=1S/C10H9FN2O3S/c1-17(14,15)6-2-3-7(9(11)4-6)8-5-13-16-10(8)12/h2-5H,12H2,1H3
InChIKeyJXCSLSUEDBFJCB-UHFFFAOYSA-N
MW256.26 g/mol
LogP1.47
Rot. Bonds2

About 4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine

4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine (PubChem CID 117393713) has the molecular formula C10H9FN2O3S and a molecular weight of 256.26 g/mol. Its IUPAC name is 4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
PubChem CID117393713
Molecular FormulaC10H9FN2O3S
Molecular Weight256.26 g/mol
Exact Mass256.03
IUPAC Name4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
SMILESCS(=O)(=O)c1ccc(-c2cnoc2N)c(F)c1
InChIInChI=1S/C10H9FN2O3S/c1-17(14,15)6-2-3-7(9(11)4-6)8-5-13-16-10(8)12/h2-5H,12H2,1H3
InChIKeyJXCSLSUEDBFJCB-UHFFFAOYSA-N
XLogP1.47
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 51.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine (CID 117393713) is 4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine is CS(=O)(=O)c1ccc(-c2cnoc2N)c(F)c1.
What is the InChIKey of 4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The InChIKey is JXCSLSUEDBFJCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9FN2O3S/c1-17(14,15)6-2-3-7(9(11)4-6)8-5-13-16-10(8)12/h2-5H,12H2,1H3.
What are the key properties of 4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine?
4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine has a molecular weight of 256.26 g/mol, XLogP of 1.47, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117393713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).