5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid

C12H9F3N2O4 — CID 103233523

IUPAC5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CNc2ccccc2OC(F)(F)F)on1
InChIInChI=1S/C12H9F3N2O4/c13-12(14,15)20-10-4-2-1-3-8(10)16-6-7-5-9(11(18)19)17-21-7/h1-5,16H,6H2,(H,18,19)
InChIKeyGXUNORJLOCXCHR-UHFFFAOYSA-N
MW302.21 g/mol
LogP2.88
Rot. Bonds5

About 5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid

5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid (PubChem CID 103233523) has the molecular formula C12H9F3N2O4 and a molecular weight of 302.21 g/mol. Its IUPAC name is 5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid
PubChem CID103233523
Molecular FormulaC12H9F3N2O4
Molecular Weight302.21 g/mol
Exact Mass302.05
IUPAC Name5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid
SMILESO=C(O)c1cc(CNc2ccccc2OC(F)(F)F)on1
InChIInChI=1S/C12H9F3N2O4/c13-12(14,15)20-10-4-2-1-3-8(10)16-6-7-5-9(11(18)19)17-21-7/h1-5,16H,6H2,(H,18,19)
InChIKeyGXUNORJLOCXCHR-UHFFFAOYSA-N
XLogP2.88
TPSA84.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.21
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid (CID 103233523) is 5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid is O=C(O)c1cc(CNc2ccccc2OC(F)(F)F)on1.
What is the InChIKey of 5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid?
The InChIKey is GXUNORJLOCXCHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9F3N2O4/c13-12(14,15)20-10-4-2-1-3-8(10)16-6-7-5-9(11(18)19)17-21-7/h1-5,16H,6H2,(H,18,19).
What are the key properties of 5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid?
5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid has a molecular weight of 302.21 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(trifluoromethoxy)anilino]methyl]-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 103233523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).