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

C8H8F3NO3 — CID 58374146

IUPAC5-propan-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
SMILESCC(C)c1onc(C(=O)O)c1C(F)(F)F
InChIInChI=1S/C8H8F3NO3/c1-3(2)6-4(8(9,10)11)5(7(13)14)12-15-6/h3H,1-2H3,(H,13,14)
InChIKeyGPWNHOMILCPLRS-UHFFFAOYSA-N
MW223.15 g/mol
LogP2.52
Rot. Bonds2

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

5-propan-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid (PubChem CID 58374146) has the molecular formula C8H8F3NO3 and a molecular weight of 223.15 g/mol. Its IUPAC name is 5-propan-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid.

Molecular Properties

Compound Name5-propan-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
PubChem CID58374146
Molecular FormulaC8H8F3NO3
Molecular Weight223.15 g/mol
Exact Mass223.05
IUPAC Name5-propan-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid
SMILESCC(C)c1onc(C(=O)O)c1C(F)(F)F
InChIInChI=1S/C8H8F3NO3/c1-3(2)6-4(8(9,10)11)5(7(13)14)12-15-6/h3H,1-2H3,(H,13,14)
InChIKeyGPWNHOMILCPLRS-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

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid?
The IUPAC name of 5-propan-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid (CID 58374146) is 5-propan-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid.
What is the SMILES notation for 5-propan-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid?
The canonical SMILES for 5-propan-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid is CC(C)c1onc(C(=O)O)c1C(F)(F)F.
What is the InChIKey of 5-propan-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid?
The InChIKey is GPWNHOMILCPLRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO3/c1-3(2)6-4(8(9,10)11)5(7(13)14)12-15-6/h3H,1-2H3,(H,13,14).
What are the key properties of 5-propan-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid?
5-propan-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-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 5-propan-2-yl-4-(trifluoromethyl)-1,2-oxazole-3-carboxylic acid is sourced from PubChem (CID 58374146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).