5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole

C14H14F3NO — CID 116861865

IUPAC5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole
SMILESCC(C)(C)c1ccc(-c2cc(C(F)(F)F)no2)cc1
InChIInChI=1S/C14H14F3NO/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(18-19-11)14(15,16)17/h4-8H,1-3H3
InChIKeyKTONEWLIBSLABT-UHFFFAOYSA-N
MW269.27 g/mol
LogP4.66
Rot. Bonds1

About 5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole

5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole (PubChem CID 116861865) has the molecular formula C14H14F3NO and a molecular weight of 269.27 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole.

Molecular Properties

Compound Name5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole
PubChem CID116861865
Molecular FormulaC14H14F3NO
Molecular Weight269.27 g/mol
Exact Mass269.10
IUPAC Name5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole
SMILESCC(C)(C)c1ccc(-c2cc(C(F)(F)F)no2)cc1
InChIInChI=1S/C14H14F3NO/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(18-19-11)14(15,16)17/h4-8H,1-3H3
InChIKeyKTONEWLIBSLABT-UHFFFAOYSA-N
XLogP4.66
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.27
LogP ≤ 54.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole?
The IUPAC name of 5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole (CID 116861865) is 5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole.
What is the SMILES notation for 5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole?
The canonical SMILES for 5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole is CC(C)(C)c1ccc(-c2cc(C(F)(F)F)no2)cc1.
What is the InChIKey of 5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole?
The InChIKey is KTONEWLIBSLABT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F3NO/c1-13(2,3)10-6-4-9(5-7-10)11-8-12(18-19-11)14(15,16)17/h4-8H,1-3H3.
What are the key properties of 5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole?
5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole has a molecular weight of 269.27 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-tert-butylphenyl)-3-(trifluoromethyl)-1,2-oxazole is sourced from PubChem (CID 116861865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).