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

C11H7ClFNO4 — CID 117431805

IUPAC5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)O)no2)c(F)c(O)c1Cl
InChIInChI=1S/C11H7ClFNO4/c1-4-2-5(9(13)10(15)8(4)12)7-3-6(11(16)17)14-18-7/h2-3,15H,1H3,(H,16,17)
InChIKeyUDCOMEOWQCYKJU-UHFFFAOYSA-N
MW271.63 g/mol
LogP2.85
Rot. Bonds2

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

5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117431805) has the molecular formula C11H7ClFNO4 and a molecular weight of 271.63 g/mol. Its IUPAC name is 5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117431805
Molecular FormulaC11H7ClFNO4
Molecular Weight271.63 g/mol
Exact Mass271.00
IUPAC Name5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)O)no2)c(F)c(O)c1Cl
InChIInChI=1S/C11H7ClFNO4/c1-4-2-5(9(13)10(15)8(4)12)7-3-6(11(16)17)14-18-7/h2-3,15H,1H3,(H,16,17)
InChIKeyUDCOMEOWQCYKJU-UHFFFAOYSA-N
XLogP2.85
TPSA83.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.63
LogP ≤ 52.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-(4-chloro-2-fluoro-3-hydroxy-5-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-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117391990
5-(2-fluoro-4-hydroxy-3-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 136991948
5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117349990
5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117467926
5-(2,3-dihydroxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 137017056
5-(3-chloro-2,6-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117436840
5-(3-bromo-2-fluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117482852
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
5-(2-chloro-3-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422565
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000
5-(4,5-dihydroxy-2,3-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 136998049

Frequently Asked Questions

What is the IUPAC name of 5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid (CID 117431805) is 5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid is Cc1cc(-c2cc(C(=O)O)no2)c(F)c(O)c1Cl.
What is the InChIKey of 5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is UDCOMEOWQCYKJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H7ClFNO4/c1-4-2-5(9(13)10(15)8(4)12)7-3-6(11(16)17)14-18-7/h2-3,15H,1H3,(H,16,17).
What are the key properties of 5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid?
5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 271.63 g/mol, XLogP of 2.85, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117431805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).