5-(2-chloro-5-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid

C11H8ClNO5S — CID 117485836

IUPAC5-(2-chloro-5-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCS(=O)(=O)c1ccc(Cl)c(-c2cc(C(=O)O)no2)c1
InChIInChI=1S/C11H8ClNO5S/c1-19(16,17)6-2-3-8(12)7(4-6)10-5-9(11(14)15)13-18-10/h2-5H,1H3,(H,14,15)
InChIKeyUJONHTJLFKDRBQ-UHFFFAOYSA-N
MW301.71 g/mol
LogP2.10
Rot. Bonds3

About 5-(2-chloro-5-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid

5-(2-chloro-5-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117485836) has the molecular formula C11H8ClNO5S and a molecular weight of 301.71 g/mol. Its IUPAC name is 5-(2-chloro-5-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-5-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117485836
Molecular FormulaC11H8ClNO5S
Molecular Weight301.71 g/mol
Exact Mass300.98
IUPAC Name5-(2-chloro-5-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCS(=O)(=O)c1ccc(Cl)c(-c2cc(C(=O)O)no2)c1
InChIInChI=1S/C11H8ClNO5S/c1-19(16,17)6-2-3-8(12)7(4-6)10-5-9(11(14)15)13-18-10/h2-5H,1H3,(H,14,15)
InChIKeyUJONHTJLFKDRBQ-UHFFFAOYSA-N
XLogP2.10
TPSA97.47 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.71
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(5-bromo-2-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117487455
5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117427083
5-(3-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386910
5-[2-chloro-4-(1-fluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117427117
5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137007313
5-(3-hydroxy-2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117337523
5-(5-chloro-2-methyl-1H-indol-6-yl)-1,2-oxazole-3-carboxylic acid
CID 117443278
5-[3-chloro-2-(1,1-difluoroethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 117464297
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644
5-(2-chloro-3-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422565
5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117467926

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-5-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-chloro-5-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid (CID 117485836) is 5-(2-chloro-5-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-5-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-chloro-5-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid is CS(=O)(=O)c1ccc(Cl)c(-c2cc(C(=O)O)no2)c1.
What is the InChIKey of 5-(2-chloro-5-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is UJONHTJLFKDRBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO5S/c1-19(16,17)6-2-3-8(12)7(4-6)10-5-9(11(14)15)13-18-10/h2-5H,1H3,(H,14,15).
What are the key properties of 5-(2-chloro-5-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(2-chloro-5-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 301.71 g/mol, XLogP of 2.10, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-5-methylsulfonylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117485836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).