2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid

C11H5ClF3NO3 — CID 174624986

IUPAC2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)cc2)oc1C(F)(F)F
InChIInChI=1S/C11H5ClF3NO3/c12-6-3-1-5(2-4-6)9-16-7(10(17)18)8(19-9)11(13,14)15/h1-4H,(H,17,18)
InChIKeyJHKHILLGZUWDBG-UHFFFAOYSA-N
MW291.61 g/mol
LogP3.71
Rot. Bonds2

About 2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid

2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 174624986) has the molecular formula C11H5ClF3NO3 and a molecular weight of 291.61 g/mol. Its IUPAC name is 2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
PubChem CID174624986
Molecular FormulaC11H5ClF3NO3
Molecular Weight291.61 g/mol
Exact Mass290.99
IUPAC Name2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1nc(-c2ccc(Cl)cc2)oc1C(F)(F)F
InChIInChI=1S/C11H5ClF3NO3/c12-6-3-1-5(2-4-6)9-16-7(10(17)18)8(19-9)11(13,14)15/h1-4H,(H,17,18)
InChIKeyJHKHILLGZUWDBG-UHFFFAOYSA-N
XLogP3.71
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.61
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-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-(trifluoromethyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxylic acid
CID 2782932
2-(4-chlorophenyl)-5-methyl-1,3-oxazole-4-carboxylic acid
CID 4961939
methyl 2-(4-methoxyphenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylate
CID 141273710
2-(4-chlorophenyl)-4-methyl-1,3-benzoxazole-6-carboxylic acid
CID 172815570
2-bromo-1-[2-(4-chlorophenyl)-5-methyl-1,3-oxazol-4-yl]ethanone
CID 86674821
2-[4-fluoro-3-(trifluoromethyl)phenyl]-5-methoxy-1,3-oxazole-4-carboxylic acid
CID 121234464
2-(4-chlorophenyl)-5-(1H-indol-3-yl)-1,3-oxazole-4-carboxylic acid
CID 86048852
2-[4-(4-carboxy-5-phenyl-1,3-oxazol-2-yl)phenyl]-5-phenyl-1,3-oxazole-4-carboxylic acid
CID 71408646
2-(4-chlorophenyl)-1,3-benzoxazole-7-carboxylic acid
CID 59625768
2-(4-tert-butylphenyl)-1,3-oxazole-4,5-dicarboxylic acid
CID 102953817
2-(4-chlorophenyl)-5-pyridin-3-yl-1,3,4-oxadiazole;2,2,2-trifluoroacetic acid
CID 68718408
2-(4-chlorophenyl)-5-[4-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 850624

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid (CID 174624986) is 2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid is O=C(O)c1nc(-c2ccc(Cl)cc2)oc1C(F)(F)F.
What is the InChIKey of 2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is JHKHILLGZUWDBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H5ClF3NO3/c12-6-3-1-5(2-4-6)9-16-7(10(17)18)8(19-9)11(13,14)15/h1-4H,(H,17,18).
What are the key properties of 2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid?
2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 291.61 g/mol, XLogP of 3.71, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)-5-(trifluoromethyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 174624986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).