5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid

C11H7ClFNO3 — CID 117391990

IUPAC5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)no2)c(Cl)c1F
InChIInChI=1S/C11H7ClFNO3/c1-5-2-3-6(9(12)10(5)13)8-4-7(11(15)16)14-17-8/h2-4H,1H3,(H,15,16)
InChIKeyOLAIWEJPDUPWPH-UHFFFAOYSA-N
MW255.63 g/mol
LogP3.14
Rot. Bonds2

About 5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid

5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117391990) has the molecular formula C11H7ClFNO3 and a molecular weight of 255.63 g/mol. Its IUPAC name is 5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117391990
Molecular FormulaC11H7ClFNO3
Molecular Weight255.63 g/mol
Exact Mass255.01
IUPAC Name5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1ccc(-c2cc(C(=O)O)no2)c(Cl)c1F
InChIInChI=1S/C11H7ClFNO3/c1-5-2-3-6(9(12)10(5)13)8-4-7(11(15)16)14-17-8/h2-4H,1H3,(H,15,16)
InChIKeyOLAIWEJPDUPWPH-UHFFFAOYSA-N
XLogP3.14
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.63
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-(2-chloro-3-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422565
5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117431805
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000
5-(2,3-dihydroxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137017056
5-(2-chloro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117347933
5-(3-hydroxy-2,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117337523
5-(2-hydroxy-3,4-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137007313
3-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-5-carboxylic acid
CID 117391975
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(4-chloro-2-methyl-1H-indol-5-yl)-1,2-oxazole-3-carboxylic acid
CID 117443279
5-(2-methyl-4-methylsulfanylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117375885
5-(3-chloro-2,6-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117436840

Frequently Asked Questions

What is the IUPAC name of 5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid (CID 117391990) is 5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid is Cc1ccc(-c2cc(C(=O)O)no2)c(Cl)c1F.
What is the InChIKey of 5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is OLAIWEJPDUPWPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO3/c1-5-2-3-6(9(12)10(5)13)8-4-7(11(15)16)14-17-8/h2-4H,1H3,(H,15,16).
What are the key properties of 5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 255.63 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117391990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).