3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid

C12H10ClNO3 — CID 117382472

IUPAC3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCc1ccc(Cl)c(-c2cc(C(=O)O)on2)c1C
InChIInChI=1S/C12H10ClNO3/c1-6-3-4-8(13)11(7(6)2)9-5-10(12(15)16)17-14-9/h3-5H,1-2H3,(H,15,16)
InChIKeyUSTODDMRUZHDSX-UHFFFAOYSA-N
MW251.67 g/mol
LogP3.31
Rot. Bonds2

About 3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid

3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid (PubChem CID 117382472) has the molecular formula C12H10ClNO3 and a molecular weight of 251.67 g/mol. Its IUPAC name is 3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
PubChem CID117382472
Molecular FormulaC12H10ClNO3
Molecular Weight251.67 g/mol
Exact Mass251.03
IUPAC Name3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
SMILESCc1ccc(Cl)c(-c2cc(C(=O)O)on2)c1C
InChIInChI=1S/C12H10ClNO3/c1-6-3-4-8(13)11(7(6)2)9-5-10(12(15)16)17-14-9/h3-5H,1-2H3,(H,15,16)
InChIKeyUSTODDMRUZHDSX-UHFFFAOYSA-N
XLogP3.31
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.67
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(6-chloro-2-fluoro-3-methoxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 117431788
3-(4-chloro-2,3-dihydroxyphenyl)-1,2-oxazole-5-carboxylic acid
CID 136991054
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117391975
3-(2-chloro-6-hydroxy-5-methoxy-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 136931104
3-(3,6-dimethoxy-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117411955
3-(4-methoxy-2,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 82371528
3-(2-chloro-5,6-dimethoxy-3-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117479245
3-(3-hydroxy-1,4-dimethyl-5,6,7,8-tetrahydronaphthalen-2-yl)-1,2-oxazole-5-carboxylic acid
CID 136968290
3-(2-methoxy-3-methyl-6-propan-2-ylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117440066
3-(5-ethyl-2-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117333924
3-(5-chloro-2,3-dimethoxy-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117479241
3-(2-hydroxy-4-methoxy-3,6-dimethylphenyl)-1,2-oxazole-5-carboxylic acid
CID 137004767

Frequently Asked Questions

What is the IUPAC name of 3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid?
The IUPAC name of 3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid (CID 117382472) is 3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid.
What is the SMILES notation for 3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid?
The canonical SMILES for 3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid is Cc1ccc(Cl)c(-c2cc(C(=O)O)on2)c1C.
What is the InChIKey of 3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid?
The InChIKey is USTODDMRUZHDSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO3/c1-6-3-4-8(13)11(7(6)2)9-5-10(12(15)16)17-14-9/h3-5H,1-2H3,(H,15,16).
What are the key properties of 3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid?
3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid has a molecular weight of 251.67 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-chloro-2,3-dimethylphenyl)-1,2-oxazole-5-carboxylic acid is sourced from PubChem (CID 117382472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).