5-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylic acid

C7H6F3NO3 — CID 62232816

IUPAC5-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(CC(F)(F)F)nc1C(=O)O
InChIInChI=1S/C7H6F3NO3/c1-3-5(6(12)13)11-4(14-3)2-7(8,9)10/h2H2,1H3,(H,12,13)
InChIKeyIMBSUFAZGDNYLE-UHFFFAOYSA-N
MW209.12 g/mol
LogP1.79
Rot. Bonds2

About 5-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylic acid

5-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylic acid (PubChem CID 62232816) has the molecular formula C7H6F3NO3 and a molecular weight of 209.12 g/mol. Its IUPAC name is 5-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name5-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylic acid
PubChem CID62232816
Molecular FormulaC7H6F3NO3
Molecular Weight209.12 g/mol
Exact Mass209.03
IUPAC Name5-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylic acid
SMILESCc1oc(CC(F)(F)F)nc1C(=O)O
InChIInChI=1S/C7H6F3NO3/c1-3-5(6(12)13)11-4(14-3)2-7(8,9)10/h2H2,1H3,(H,12,13)
InChIKeyIMBSUFAZGDNYLE-UHFFFAOYSA-N
XLogP1.79
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.12
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 5-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylic acid (CID 62232816) is 5-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 5-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 5-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylic acid is Cc1oc(CC(F)(F)F)nc1C(=O)O.
What is the InChIKey of 5-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylic acid?
The InChIKey is IMBSUFAZGDNYLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H6F3NO3/c1-3-5(6(12)13)11-4(14-3)2-7(8,9)10/h2H2,1H3,(H,12,13).
What are the key properties of 5-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylic acid?
5-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylic acid has a molecular weight of 209.12 g/mol, XLogP of 1.79, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(2,2,2-trifluoroethyl)-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 62232816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).