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

C11H11FN2O4S — CID 117461612

IUPAC3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(S(C)(=O)=O)c(F)cc1-c1cc(N)on1
InChIInChI=1S/C11H11FN2O4S/c1-17-9-5-10(19(2,15)16)7(12)3-6(9)8-4-11(13)18-14-8/h3-5H,13H2,1-2H3
InChIKeyWFGVMRGDSKFDOO-UHFFFAOYSA-N
MW286.28 g/mol
LogP1.48
Rot. Bonds3

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

3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-amine (PubChem CID 117461612) has the molecular formula C11H11FN2O4S and a molecular weight of 286.28 g/mol. Its IUPAC name is 3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
PubChem CID117461612
Molecular FormulaC11H11FN2O4S
Molecular Weight286.28 g/mol
Exact Mass286.04
IUPAC Name3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
SMILESCOc1cc(S(C)(=O)=O)c(F)cc1-c1cc(N)on1
InChIInChI=1S/C11H11FN2O4S/c1-17-9-5-10(19(2,15)16)7(12)3-6(9)8-4-11(13)18-14-8/h3-5H,13H2,1-2H3
InChIKeyWFGVMRGDSKFDOO-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

5-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-3-amine
CID 117461607
3-(2-methoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117424344
3-(5-bromo-2-fluoro-4-methoxyphenyl)-1,2-oxazol-5-amine
CID 117462618
2-(5-amino-1,2-oxazol-3-yl)-5-fluoro-4-methoxyphenol
CID 136968465
4-(5-amino-1,2-oxazol-3-yl)-5-fluoro-2-methoxyphenol
CID 136968470
3-(4-bromo-2,5-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 3407261
3-[5-(difluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117428576
3-[5-(fluoromethyl)-2,4-dimethoxyphenyl]-1,2-oxazol-5-amine
CID 117383350
5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol
CID 117348496
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(5-amino-1,2-oxazol-3-yl)-2,6-difluoro-5-methoxyphenol
CID 117356932
3-(4,5-dimethoxy-2-methylsulfanylphenyl)-1,2-oxazol-5-amine
CID 117419909

Frequently Asked Questions

What is the IUPAC name of 3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-amine (CID 117461612) is 3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-amine is COc1cc(S(C)(=O)=O)c(F)cc1-c1cc(N)on1.
What is the InChIKey of 3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The InChIKey is WFGVMRGDSKFDOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11FN2O4S/c1-17-9-5-10(19(2,15)16)7(12)3-6(9)8-4-11(13)18-14-8/h3-5H,13H2,1-2H3.
What are the key properties of 3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-amine?
3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-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 3-(5-fluoro-2-methoxy-4-methylsulfonylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117461612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).