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

C9H10F3NO3 — CID 106821235

IUPAC5-(2-methylpropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
SMILESCC(C)Cc1onc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C9H10F3NO3/c1-4(2)3-5-6(8(14)15)7(13-16-5)9(10,11)12/h4H,3H2,1-2H3,(H,14,15)
InChIKeyRTFQHKFTUHUTRA-UHFFFAOYSA-N
MW237.18 g/mol
LogP2.59
Rot. Bonds3

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

5-(2-methylpropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid (PubChem CID 106821235) has the molecular formula C9H10F3NO3 and a molecular weight of 237.18 g/mol. Its IUPAC name is 5-(2-methylpropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-(2-methylpropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
PubChem CID106821235
Molecular FormulaC9H10F3NO3
Molecular Weight237.18 g/mol
Exact Mass237.06
IUPAC Name5-(2-methylpropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid
SMILESCC(C)Cc1onc(C(F)(F)F)c1C(=O)O
InChIInChI=1S/C9H10F3NO3/c1-4(2)3-5-6(8(14)15)7(13-16-5)9(10,11)12/h4H,3H2,1-2H3,(H,14,15)
InChIKeyRTFQHKFTUHUTRA-UHFFFAOYSA-N
XLogP2.59
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.18
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(2-methylpropyl)-3-(trifluoromethyl)-1,2-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

Frequently Asked Questions

What is the IUPAC name of 5-(2-methylpropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
The IUPAC name of 5-(2-methylpropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid (CID 106821235) is 5-(2-methylpropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-(2-methylpropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
The canonical SMILES for 5-(2-methylpropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid is CC(C)Cc1onc(C(F)(F)F)c1C(=O)O.
What is the InChIKey of 5-(2-methylpropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
The InChIKey is RTFQHKFTUHUTRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10F3NO3/c1-4(2)3-5-6(8(14)15)7(13-16-5)9(10,11)12/h4H,3H2,1-2H3,(H,14,15).
What are the key properties of 5-(2-methylpropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid?
5-(2-methylpropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid has a molecular weight of 237.18 g/mol, XLogP of 2.59, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylpropyl)-3-(trifluoromethyl)-1,2-oxazole-4-carboxylic acid is sourced from PubChem (CID 106821235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).