5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine

C11H11FN2O4S — CID 117461607

IUPAC5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine
SMILESCOc1cc(S(C)(=O)=O)c(F)cc1-c1cc(N)no1
InChIInChI=1S/C11H11FN2O4S/c1-17-8-4-10(19(2,15)16)7(12)3-6(8)9-5-11(13)14-18-9/h3-5H,1-2H3,(H2,13,14)
InChIKeyDOWAGAPYLXLSRY-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.48
Rot. Bonds3

About 5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine

5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine (PubChem CID 117461607) has the molecular formula C11H11FN2O4S and a molecular weight of 286.28 g/mol. Its IUPAC name is 5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine.

Molecular Properties

Compound Name5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine
PubChem CID117461607
Molecular FormulaC11H11FN2O4S
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine
SMILESCOc1cc(S(C)(=O)=O)c(F)cc1-c1cc(N)no1
InChIInChI=1S/C11H11FN2O4S/c1-17-8-4-10(19(2,15)16)7(12)3-6(8)9-5-11(13)14-18-9/h3-5H,1-2H3,(H2,13,14)
InChIKeyDOWAGAPYLXLSRY-UHFFFAOYSA-N
XLogP1.48
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 51.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117461612
5-(3-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine
CID 117461608
5-(4,5-difluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393411
5-(6-methoxy-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazol-3-amine
CID 117373049
5-[4,5-dimethoxy-2-(trifluoromethyl)phenyl]-1,2-oxazol-3-amine
CID 117465476
5-(5-ethoxy-2-methoxy-4-methylphenyl)-1,2-oxazol-3-amine
CID 117373528
5-(2,6-difluoro-3,5-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117393407
5-(2,5-dimethoxy-4-propan-2-yloxyphenyl)-1,2-oxazol-3-amine
CID 117446006
5-(5-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117358471
5-(5-bromo-2-fluoro-3-methoxyphenyl)-1,2-oxazol-3-amine
CID 117462604
5-(2-fluoro-5-methoxyphenyl)-1,2-oxazol-3-amine
CID 117297135
5-(4-fluoro-2,3-dimethoxyphenyl)-1,2-oxazol-3-amine
CID 117348486

Frequently Asked Questions

What is the IUPAC name of 5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine?
The IUPAC name of 5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine (CID 117461607) is 5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine.
What is the SMILES notation for 5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine?
The canonical SMILES for 5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine is COc1cc(S(C)(=O)=O)c(F)cc1-c1cc(N)no1.
What is the InChIKey of 5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine?
The InChIKey is DOWAGAPYLXLSRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4S/c1-17-8-4-10(19(2,15)16)7(12)3-6(8)9-5-11(13)14-18-9/h3-5H,1-2H3,(H2,13,14).
What are the key properties of 5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine?
5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine has a molecular weight of 286.28 g/mol, XLogP of 1.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine is sourced from PubChem (CID 117461607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).