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

C12H10ClNO5 — CID 117455882

IUPAC5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(Cl)c(-c2cc(C(=O)O)no2)c1OC
InChIInChI=1S/C12H10ClNO5/c1-17-8-4-3-6(13)10(11(8)18-2)9-5-7(12(15)16)14-19-9/h3-5H,1-2H3,(H,15,16)
InChIKeyLTLAQSFJZHZPRE-UHFFFAOYSA-N
MW283.67 g/mol
LogP2.71
Rot. Bonds4

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

5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117455882) has the molecular formula C12H10ClNO5 and a molecular weight of 283.67 g/mol. Its IUPAC name is 5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117455882
Molecular FormulaC12H10ClNO5
Molecular Weight283.67 g/mol
Exact Mass283.02
IUPAC Name5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1ccc(Cl)c(-c2cc(C(=O)O)no2)c1OC
InChIInChI=1S/C12H10ClNO5/c1-17-8-4-3-6(13)10(11(8)18-2)9-5-7(12(15)16)14-19-9/h3-5H,1-2H3,(H,15,16)
InChIKeyLTLAQSFJZHZPRE-UHFFFAOYSA-N
XLogP2.71
TPSA81.79 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.67
LogP ≤ 52.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411985
5-(2-chloro-3-ethyl-5,6-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117496420
5-(3-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386910
5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117380434
5-(5-methoxy-1H-indol-4-yl)-1,2-oxazole-3-carboxylic acid
CID 117398764
5-(4-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386909
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
5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117427083
5-(2-ethoxy-6-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411996
5-(5-chloro-3-fluoro-2,4-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117485824
5-(3-chloro-5-fluoro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117431806

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 117455882) is 5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid is COc1ccc(Cl)c(-c2cc(C(=O)O)no2)c1OC.
What is the InChIKey of 5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is LTLAQSFJZHZPRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10ClNO5/c1-17-8-4-3-6(13)10(11(8)18-2)9-5-7(12(15)16)14-19-9/h3-5H,1-2H3,(H,15,16).
What are the key properties of 5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 283.67 g/mol, XLogP of 2.71, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117455882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).