4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine

C10H9ClN2O3S — CID 117434464

IUPAC4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine
SMILESCS(=O)(=O)c1cccc(Cl)c1-c1cnoc1N
InChIInChI=1S/C10H9ClN2O3S/c1-17(14,15)8-4-2-3-7(11)9(8)6-5-13-16-10(6)12/h2-5H,12H2,1H3
InChIKeyWYJOYPUOKJDDAW-UHFFFAOYSA-N
MW272.71 g/mol
LogP1.98
Rot. Bonds2

About 4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine

4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine (PubChem CID 117434464) has the molecular formula C10H9ClN2O3S and a molecular weight of 272.71 g/mol. Its IUPAC name is 4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine.

Molecular Properties

Compound Name4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine
PubChem CID117434464
Molecular FormulaC10H9ClN2O3S
Molecular Weight272.71 g/mol
Exact Mass272.00
IUPAC Name4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine
SMILESCS(=O)(=O)c1cccc(Cl)c1-c1cnoc1N
InChIInChI=1S/C10H9ClN2O3S/c1-17(14,15)8-4-2-3-7(11)9(8)6-5-13-16-10(6)12/h2-5H,12H2,1H3
InChIKeyWYJOYPUOKJDDAW-UHFFFAOYSA-N
XLogP1.98
TPSA86.19 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.71
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(5-amino-1,2-oxazol-4-yl)-2-methylsulfonylphenol
CID 117388686
4-(3,6-dimethoxy-2-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117480762
2-(2-chloro-6-methylsulfonylphenyl)-1,3,4-oxadiazole
CID 141002632
4-(3-chloro-6-methoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117349779
3-(5-amino-1,2-oxazol-4-yl)-4-chloro-2-methoxyphenol
CID 117353908
N-[2-(5-amino-1,2-oxazol-4-yl)-3-chloro-6-hydroxyphenyl]acetamide
CID 117422595
4-(3-chloro-2-fluoro-5,6-dimethylphenyl)-1,2-oxazol-5-amine
CID 117353932
4-(2,5-dimethoxy-3-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117480763
4-(2-fluoro-4-methylsulfonylphenyl)-1,2-oxazol-5-amine
CID 117393713
4-[4-(methylsulfonylmethyl)phenyl]-1,2-oxazol-5-amine
CID 117383874
4-(3-chloro-2-fluorophenyl)-3-(methylsulfonylmethyl)-1,2-oxazol-5-amine
CID 82802899
4-(6-chloro-3,4-dimethoxy-2-methylphenyl)-1,2-oxazol-5-amine
CID 117425199

Frequently Asked Questions

What is the IUPAC name of 4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The IUPAC name of 4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine (CID 117434464) is 4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine.
What is the SMILES notation for 4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The canonical SMILES for 4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine is CS(=O)(=O)c1cccc(Cl)c1-c1cnoc1N.
What is the InChIKey of 4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine?
The InChIKey is WYJOYPUOKJDDAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9ClN2O3S/c1-17(14,15)8-4-2-3-7(11)9(8)6-5-13-16-10(6)12/h2-5H,12H2,1H3.
What are the key properties of 4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine?
4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine has a molecular weight of 272.71 g/mol, XLogP of 1.98, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-chloro-6-methylsulfonylphenyl)-1,2-oxazol-5-amine is sourced from PubChem (CID 117434464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).