2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid

C11H6ClF3N2O3 — CID 116700317

IUPAC2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(Nc2cc(Cl)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H6ClF3N2O3/c12-6-1-5(11(13,14)15)2-7(3-6)16-10-17-8(4-20-10)9(18)19/h1-4H,(H,16,17)(H,18,19)
InChIKeyAEDUQTRJEURLFR-UHFFFAOYSA-N
MW306.63 g/mol
LogP3.79
Rot. Bonds3

About 2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid

2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid (PubChem CID 116700317) has the molecular formula C11H6ClF3N2O3 and a molecular weight of 306.63 g/mol. Its IUPAC name is 2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid
PubChem CID116700317
Molecular FormulaC11H6ClF3N2O3
Molecular Weight306.63 g/mol
Exact Mass306.00
IUPAC Name2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(Nc2cc(Cl)cc(C(F)(F)F)c2)n1
InChIInChI=1S/C11H6ClF3N2O3/c12-6-1-5(11(13,14)15)2-7(3-6)16-10-17-8(4-20-10)9(18)19/h1-4H,(H,16,17)(H,18,19)
InChIKeyAEDUQTRJEURLFR-UHFFFAOYSA-N
XLogP3.79
TPSA75.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.63
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[3-chloro-5-(trifluoromethyl)anilino]-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

2-[3-chloro-5-(trifluoromethyl)anilino]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 116700991
2-(pyrimidin-5-ylamino)-1,3-oxazole-4-carboxylic acid
CID 107588927
N-(3,5-dichlorophenyl)-2-[4-(trifluoromethyl)phenyl]-1,3-oxazole-4-carboxamide
CID 84553281
2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoylamino]-1,3-oxazole-5-carboxylic acid
CID 175502694
methyl 2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-thiazole-4-carboxylate
CID 116700994
2-(2-chloro-4-iodoanilino)-1,3-oxazole-4-carboxylic acid
CID 107607038
2-[[3-chloro-5-(trifluoromethyl)phenyl]carbamoyl]benzoic acid
CID 85472840
5-[[3-chloro-5-(trifluoromethyl)anilino]methyl]furan-2-carboxylic acid
CID 116699158
5-[3-chloro-5-(trifluoromethyl)phenyl]-1,2-oxazole-3-carboxylic acid
CID 115111243
2-(4-methylsulfonylanilino)-1,3-oxazole-4-carboxylic acid
CID 113377106
5-[[3-chloro-5-(trifluoromethyl)anilino]methyl]thiophene-3-carboxylic acid
CID 116698869
5-bromo-N-[3-chloro-5-(trifluoromethyl)phenyl]pyridine-2-carboxamide
CID 116700198

Frequently Asked Questions

What is the IUPAC name of 2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid (CID 116700317) is 2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(Nc2cc(Cl)cc(C(F)(F)F)c2)n1.
What is the InChIKey of 2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid?
The InChIKey is AEDUQTRJEURLFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6ClF3N2O3/c12-6-1-5(11(13,14)15)2-7(3-6)16-10-17-8(4-20-10)9(18)19/h1-4H,(H,16,17)(H,18,19).
What are the key properties of 2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid?
2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid has a molecular weight of 306.63 g/mol, XLogP of 3.79, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-chloro-5-(trifluoromethyl)anilino]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 116700317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).