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

C11H12N2O4S — CID 117424344

IUPAC3-(2-methoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(-c2cc(N)on2)cccc1S(C)(=O)=O
InChIInChI=1S/C11H12N2O4S/c1-16-11-7(8-6-10(12)17-13-8)4-3-5-9(11)18(2,14)15/h3-6H,12H2,1-2H3
InChIKeyIJDXWXDLMFFDDY-UHFFFAOYSA-N
MW268.29 g/mol
LogP1.34
Rot. Bonds3

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

3-(2-methoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine (PubChem CID 117424344) has the molecular formula C11H12N2O4S and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-(2-methoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name3-(2-methoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine
PubChem CID117424344
Molecular FormulaC11H12N2O4S
Molecular Weight268.29 g/mol
Exact Mass268.05
IUPAC Name3-(2-methoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine
SMILESCOc1c(-c2cc(N)on2)cccc1S(C)(=O)=O
InChIInChI=1S/C11H12N2O4S/c1-16-11-7(8-6-10(12)17-13-8)4-3-5-9(11)18(2,14)15/h3-6H,12H2,1-2H3
InChIKeyIJDXWXDLMFFDDY-UHFFFAOYSA-N
XLogP1.34
TPSA95.42 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 51.34
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
3-(2,3-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117340291
3-(2,5-dimethoxy-3,4-dimethylphenyl)-1,2-oxazol-5-amine
CID 117373551
3-(3-methoxy-2-propan-2-ylphenyl)-1,2-oxazol-5-amine
CID 117336512
3-(5-methoxy-2,3-dihydro-1,4-benzodioxin-6-yl)-1,2-oxazol-5-amine
CID 117372927
3-[2-(2-fluoropropan-2-yl)phenyl]-1,2-oxazol-5-amine
CID 117314022
3-(3-bromo-2,4-dimethoxy-5-methylphenyl)-1,2-oxazol-5-amine
CID 117498173
3-(3-chloro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117434460
3-(3-bromo-2,5-dimethoxy-4-methylphenyl)-1,2-oxazol-5-amine
CID 117498171
5-(5-amino-1,2-oxazol-3-yl)-3-fluoro-2-methoxy-6-methylphenol
CID 117348496
6-(5-amino-1,2-oxazol-3-yl)-4-chloro-2-methoxy-3-methylphenol
CID 136942355
3-(5-chloro-2,3-dimethoxyphenyl)-1,2-oxazol-5-amine
CID 117389651

Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 3-(2-methoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine (CID 117424344) is 3-(2-methoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 3-(2-methoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 3-(2-methoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine is COc1c(-c2cc(N)on2)cccc1S(C)(=O)=O.
What is the InChIKey of 3-(2-methoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The InChIKey is IJDXWXDLMFFDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N2O4S/c1-16-11-7(8-6-10(12)17-13-8)4-3-5-9(11)18(2,14)15/h3-6H,12H2,1-2H3.
What are the key properties of 3-(2-methoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine?
3-(2-methoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine has a molecular weight of 268.29 g/mol, XLogP of 1.34, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117424344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).