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

C12H14F3NO4 — CID 103199262

IUPAC4-(trifluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESCC1OC(C)C(c2nc(C(F)(F)F)c(C(=O)O)o2)C1C
InChIInChI=1S/C12H14F3NO4/c1-4-5(2)19-6(3)7(4)10-16-9(12(13,14)15)8(20-10)11(17)18/h4-7H,1-3H3,(H,17,18)
InChIKeyWRNSLPFFSPFJQP-UHFFFAOYSA-N
MW293.24 g/mol
LogP2.92
Rot. Bonds2

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

4-(trifluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103199262) has the molecular formula C12H14F3NO4 and a molecular weight of 293.24 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(trifluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID103199262
Molecular FormulaC12H14F3NO4
Molecular Weight293.24 g/mol
Exact Mass293.09
IUPAC Name4-(trifluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESCC1OC(C)C(c2nc(C(F)(F)F)c(C(=O)O)o2)C1C
InChIInChI=1S/C12H14F3NO4/c1-4-5(2)19-6(3)7(4)10-16-9(12(13,14)15)8(20-10)11(17)18/h4-7H,1-3H3,(H,17,18)
InChIKeyWRNSLPFFSPFJQP-UHFFFAOYSA-N
XLogP2.92
TPSA72.56 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(trifluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(trifluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid (CID 103199262) is 4-(trifluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(trifluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(trifluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid is CC1OC(C)C(c2nc(C(F)(F)F)c(C(=O)O)o2)C1C.
What is the InChIKey of 4-(trifluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is WRNSLPFFSPFJQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14F3NO4/c1-4-5(2)19-6(3)7(4)10-16-9(12(13,14)15)8(20-10)11(17)18/h4-7H,1-3H3,(H,17,18).
What are the key properties of 4-(trifluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid?
4-(trifluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 293.24 g/mol, XLogP of 2.92, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(trifluoromethyl)-2-(2,4,5-trimethyloxolan-3-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103199262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).