5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid

C11H6ClF2NO4 — CID 117467926

IUPAC5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1c(F)c(Cl)cc(-c2cc(C(=O)O)no2)c1F
InChIInChI=1S/C11H6ClF2NO4/c1-18-10-8(13)4(2-5(12)9(10)14)7-3-6(11(16)17)15-19-7/h2-3H,1H3,(H,16,17)
InChIKeyUFWUHTBRSALVSW-UHFFFAOYSA-N
MW289.62 g/mol
LogP2.98
Rot. Bonds3

About 5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid

5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 117467926) has the molecular formula C11H6ClF2NO4 and a molecular weight of 289.62 g/mol. Its IUPAC name is 5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
PubChem CID117467926
Molecular FormulaC11H6ClF2NO4
Molecular Weight289.62 g/mol
Exact Mass289.00
IUPAC Name5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
SMILESCOc1c(F)c(Cl)cc(-c2cc(C(=O)O)no2)c1F
InChIInChI=1S/C11H6ClF2NO4/c1-18-10-8(13)4(2-5(12)9(10)14)7-3-6(11(16)17)15-19-7/h2-3H,1H3,(H,16,17)
InChIKeyUFWUHTBRSALVSW-UHFFFAOYSA-N
XLogP2.98
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.62
LogP ≤ 52.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-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-(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
5-(2-fluoro-4-hydroxy-3-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 136991948
5-(3-chloro-2-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117386910
5-(2-chloro-3-methoxy-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117422565
5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117390409
5-(2-chloro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117427083
5-(4-chloro-2-fluoro-3-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117431805
5-(2-chloro-3-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117391990
5-(2-methoxy-3,5-dimethylphenyl)-1,2-oxazole-3-carboxylic acid
CID 82295702
5-(3-chloro-2,6-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117436840
5-(6-chloro-2,3-dimethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117455882

Frequently Asked Questions

What is the IUPAC name of 5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid (CID 117467926) is 5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is COc1c(F)c(Cl)cc(-c2cc(C(=O)O)no2)c1F.
What is the InChIKey of 5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is UFWUHTBRSALVSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF2NO4/c1-18-10-8(13)4(2-5(12)9(10)14)7-3-6(11(16)17)15-19-7/h2-3H,1H3,(H,16,17).
What are the key properties of 5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid?
5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid has a molecular weight of 289.62 g/mol, XLogP of 2.98, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-chloro-2,4-difluoro-3-methoxyphenyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117467926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).