5-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]-1,2-oxazole-3-carboxylic acid

C12H8F3NO3 — CID 117430484

IUPAC5-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)O)no2)cc(F)c1C(F)F
InChIInChI=1S/C12H8F3NO3/c1-5-2-6(3-7(13)10(5)11(14)15)9-4-8(12(17)18)16-19-9/h2-4,11H,1H3,(H,17,18)
InChIKeyYZEKLKYFPXJFSR-UHFFFAOYSA-N
MW271.19 g/mol
LogP3.42
Rot. Bonds3

About 5-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]-1,2-oxazole-3-carboxylic acid

5-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 117430484) has the molecular formula C12H8F3NO3 and a molecular weight of 271.19 g/mol. Its IUPAC name is 5-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]-1,2-oxazole-3-carboxylic acid
PubChem CID117430484
Molecular FormulaC12H8F3NO3
Molecular Weight271.19 g/mol
Exact Mass271.05
IUPAC Name5-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]-1,2-oxazole-3-carboxylic acid
SMILESCc1cc(-c2cc(C(=O)O)no2)cc(F)c1C(F)F
InChIInChI=1S/C12H8F3NO3/c1-5-2-6(3-7(13)10(5)11(14)15)9-4-8(12(17)18)16-19-9/h2-4,11H,1H3,(H,17,18)
InChIKeyYZEKLKYFPXJFSR-UHFFFAOYSA-N
XLogP3.42
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.19
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-[4-(difluoromethyl)-3-fluoro-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-(3-carboxy-5-fluoro-4-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117416540
5-(4-bromo-3,5-difluorophenyl)-1,2-oxazole-3-carboxylic acid
CID 117488817
5-(3,5-difluoro-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117390409
5-(3-bromo-4-hydroxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 136966306
5-(3-fluoro-5-hydroxy-4-methoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117385107
5-(2,6-difluoro-3-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117350000
5-(4-fluoro-2-methyl-5-propan-2-ylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117412139
5-(5-fluoro-2,3-dihydro-1,4-benzodioxin-7-yl)-1,2-oxazole-3-carboxylic acid
CID 117416543
5-(3-fluoro-4-phenylmethoxyphenyl)-1,2-oxazole-3-carboxylic acid
CID 117498686
5-(2,3-difluoro-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117349990
5-(3-tert-butyl-4-methoxy-5-methylphenyl)-1,2-oxazole-3-carboxylic acid
CID 117467331
5-(4-chlorophenyl)-1,2-oxazole-3-carboxylic acid
CID 1133644

Frequently Asked Questions

What is the IUPAC name of 5-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]-1,2-oxazole-3-carboxylic acid (CID 117430484) is 5-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]-1,2-oxazole-3-carboxylic acid is Cc1cc(-c2cc(C(=O)O)no2)cc(F)c1C(F)F.
What is the InChIKey of 5-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is YZEKLKYFPXJFSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8F3NO3/c1-5-2-6(3-7(13)10(5)11(14)15)9-4-8(12(17)18)16-19-9/h2-4,11H,1H3,(H,17,18).
What are the key properties of 5-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]-1,2-oxazole-3-carboxylic acid?
5-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 271.19 g/mol, XLogP of 3.42, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(difluoromethyl)-3-fluoro-5-methylphenyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 117430484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).