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

C11H14F3NO3 — CID 114247148

IUPAC2-hexan-2-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCCCCC(C)c1nc(C(F)(F)F)c(C(=O)O)o1
InChIInChI=1S/C11H14F3NO3/c1-3-4-5-6(2)9-15-8(11(12,13)14)7(18-9)10(16)17/h6H,3-5H2,1-2H3,(H,16,17)
InChIKeyYJLFZNHNKFJOSX-UHFFFAOYSA-N
MW265.23 g/mol
LogP3.69
Rot. Bonds5

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

2-hexan-2-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (PubChem CID 114247148) has the molecular formula C11H14F3NO3 and a molecular weight of 265.23 g/mol. Its IUPAC name is 2-hexan-2-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.

Molecular Properties

Compound Name2-hexan-2-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
PubChem CID114247148
Molecular FormulaC11H14F3NO3
Molecular Weight265.23 g/mol
Exact Mass265.09
IUPAC Name2-hexan-2-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid
SMILESCCCCC(C)c1nc(C(F)(F)F)c(C(=O)O)o1
InChIInChI=1S/C11H14F3NO3/c1-3-4-5-6(2)9-15-8(11(12,13)14)7(18-9)10(16)17/h6H,3-5H2,1-2H3,(H,16,17)
InChIKeyYJLFZNHNKFJOSX-UHFFFAOYSA-N
XLogP3.69
TPSA63.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-hexan-2-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The IUPAC name of 2-hexan-2-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid (CID 114247148) is 2-hexan-2-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid.
What is the SMILES notation for 2-hexan-2-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The canonical SMILES for 2-hexan-2-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is CCCCC(C)c1nc(C(F)(F)F)c(C(=O)O)o1.
What is the InChIKey of 2-hexan-2-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
The InChIKey is YJLFZNHNKFJOSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14F3NO3/c1-3-4-5-6(2)9-15-8(11(12,13)14)7(18-9)10(16)17/h6H,3-5H2,1-2H3,(H,16,17).
What are the key properties of 2-hexan-2-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid?
2-hexan-2-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid has a molecular weight of 265.23 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexan-2-yl-4-(trifluoromethyl)-1,3-oxazole-5-carboxylic acid is sourced from PubChem (CID 114247148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).