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

C8H8F3NO3 — CID 83673041

IUPAC4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCC(C)c1nc(C(F)(F)F)oc1C(=O)O
InChIInChI=1S/C8H8F3NO3/c1-3(2)4-5(6(13)14)15-7(12-4)8(9,10)11/h3H,1-2H3,(H,13,14)
InChIKeyZGYQDZAHEYXVMS-UHFFFAOYSA-N
MW223.15 g/mol
LogP2.52
Rot. Bonds2

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

4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 83673041) has the molecular formula C8H8F3NO3 and a molecular weight of 223.15 g/mol. Its IUPAC name is 4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID83673041
Molecular FormulaC8H8F3NO3
Molecular Weight223.15 g/mol
Exact Mass223.05
IUPAC Name4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCC(C)c1nc(C(F)(F)F)oc1C(=O)O
InChIInChI=1S/C8H8F3NO3/c1-3(2)4-5(6(13)14)15-7(12-4)8(9,10)11/h3H,1-2H3,(H,13,14)
InChIKeyZGYQDZAHEYXVMS-UHFFFAOYSA-N
XLogP2.52
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.15
LogP ≤ 52.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole-5-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 4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 83673041) is 4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is CC(C)c1nc(C(F)(F)F)oc1C(=O)O.
What is the InChIKey of 4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is ZGYQDZAHEYXVMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3/c1-3(2)4-5(6(13)14)15-7(12-4)8(9,10)11/h3H,1-2H3,(H,13,14).
What are the key properties of 4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 223.15 g/mol, XLogP of 2.52, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-propan-2-yl-2-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 83673041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).