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

C12H10F3NO4 — CID 103199343

IUPAC4-(trifluoromethyl)-2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESCc1oc(C)c(-c2nc(C(F)(F)F)c(C(=O)O)o2)c1C
InChIInChI=1S/C12H10F3NO4/c1-4-5(2)19-6(3)7(4)10-16-9(12(13,14)15)8(20-10)11(17)18/h1-3H3,(H,17,18)
InChIKeyLAWMZZCBWFBKJD-UHFFFAOYSA-N
MW289.21 g/mol
LogP3.58
Rot. Bonds2

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

4-(trifluoromethyl)-2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid (PubChem CID 103199343) has the molecular formula C12H10F3NO4 and a molecular weight of 289.21 g/mol. Its IUPAC name is 4-(trifluoromethyl)-2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name4-(trifluoromethyl)-2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid
PubChem CID103199343
Molecular FormulaC12H10F3NO4
Molecular Weight289.21 g/mol
Exact Mass289.06
IUPAC Name4-(trifluoromethyl)-2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid
SMILESCc1oc(C)c(-c2nc(C(F)(F)F)c(C(=O)O)o2)c1C
InChIInChI=1S/C12H10F3NO4/c1-4-5(2)19-6(3)7(4)10-16-9(12(13,14)15)8(20-10)11(17)18/h1-3H3,(H,17,18)
InChIKeyLAWMZZCBWFBKJD-UHFFFAOYSA-N
XLogP3.58
TPSA76.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.21
LogP ≤ 53.58
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-trimethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 4-(trifluoromethyl)-2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid (CID 103199343) is 4-(trifluoromethyl)-2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 4-(trifluoromethyl)-2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 4-(trifluoromethyl)-2-(2,4,5-trimethylfuran-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-trimethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is LAWMZZCBWFBKJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO4/c1-4-5(2)19-6(3)7(4)10-16-9(12(13,14)15)8(20-10)11(17)18/h1-3H3,(H,17,18).
What are the key properties of 4-(trifluoromethyl)-2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid?
4-(trifluoromethyl)-2-(2,4,5-trimethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 289.21 g/mol, XLogP of 3.58, 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-trimethylfuran-3-yl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 103199343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).