5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid

C11H7F2NO3 — CID 117350000

IUPAC5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1ccc(F)c(-c2cc(C(=O)O)no2)c1F
InChIInChI=1S/C11H7F2NO3/c1-5-2-3-6(12)9(10(5)13)8-4-7(11(15)16)14-17-8/h2-4H,1H3,(H,15,16)
InChIKeyQLGNZCCFPWCLPL-UHFFFAOYSA-N
MW239.18 g/mol
LogP2.63
Rot. Bonds2

About 5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid

5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117350000) has the molecular formula C11H7F2NO3 and a molecular weight of 239.18 g/mol. Its IUPAC name is 5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117350000
Molecular FormulaC11H7F2NO3
Molecular Weight239.18 g/mol
Exact Mass239.04
IUPAC Name5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1ccc(F)c(-c2cc(C(=O)O)no2)c1F
InChIInChI=1S/C11H7F2NO3/c1-5-2-3-6(12)9(10(5)13)8-4-7(11(15)16)14-17-8/h2-4H,1H3,(H,15,16)
InChIKeyQLGNZCCFPWCLPL-UHFFFAOYSA-N
XLogP2.63
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.18
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-(3-chloro-2,6-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117436840
5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117391990
5-(3-fluoro-6-methoxy-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117380434
5-(2,3,4-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 83810758
5-(4-bromo-2,3,5,6-tetrafluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 115111261
5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117349990
5-(3-chloro-2,5,6-trifluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117445060
5-(3-fluoro-2-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117315177
5-(2,6-dimethoxy-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117411985
5-(2,3-dihydroxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137017056
5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-8-yl)-1,2-oxazole-3-carboxylic acid
CID 117416541
5-(3-chloro-2-fluoro-6-hydroxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 136991116

Frequently Asked Questions

What is the IUPAC name of 5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid (CID 117350000) is 5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid is Cc1ccc(F)c(-c2cc(C(=O)O)no2)c1F.
What is the InChIKey of 5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is QLGNZCCFPWCLPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7F2NO3/c1-5-2-3-6(12)9(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-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 239.18 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117350000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).