2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid

C11H12F3NO3 — CID 113434005

IUPAC2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(C2CCCCC2C(F)(F)F)n1
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)7-4-2-1-3-6(7)9-15-8(5-18-9)10(16)17/h5-7H,1-4H2,(H,16,17)
InChIKeyWTHBIQAHHSEEEM-UHFFFAOYSA-N
MW263.21 g/mol
LogP3.21
Rot. Bonds2

About 2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid

2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid (PubChem CID 113434005) has the molecular formula C11H12F3NO3 and a molecular weight of 263.21 g/mol. Its IUPAC name is 2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid.

Molecular Properties

Compound Name2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid
PubChem CID113434005
Molecular FormulaC11H12F3NO3
Molecular Weight263.21 g/mol
Exact Mass263.08
IUPAC Name2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid
SMILESO=C(O)c1coc(C2CCCCC2C(F)(F)F)n1
InChIInChI=1S/C11H12F3NO3/c12-11(13,14)7-4-2-1-3-6(7)9-15-8(5-18-9)10(16)17/h5-7H,1-4H2,(H,16,17)
InChIKeyWTHBIQAHHSEEEM-UHFFFAOYSA-N
XLogP3.21
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.21
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid?
The IUPAC name of 2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid (CID 113434005) is 2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid.
What is the SMILES notation for 2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid?
The canonical SMILES for 2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid is O=C(O)c1coc(C2CCCCC2C(F)(F)F)n1.
What is the InChIKey of 2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid?
The InChIKey is WTHBIQAHHSEEEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12F3NO3/c12-11(13,14)7-4-2-1-3-6(7)9-15-8(5-18-9)10(16)17/h5-7H,1-4H2,(H,16,17).
What are the key properties of 2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid?
2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid has a molecular weight of 263.21 g/mol, XLogP of 3.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(trifluoromethyl)cyclohexyl]-1,3-oxazole-4-carboxylic acid is sourced from PubChem (CID 113434005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).