2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole

C8H10F3NO — CID 58689786

IUPAC2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)(C)c1nc(C(F)(F)F)co1
InChIInChI=1S/C8H10F3NO/c1-7(2,3)6-12-5(4-13-6)8(9,10)11/h4H,1-3H3
InChIKeyOTRWQASWABMYNG-UHFFFAOYSA-N
MW193.17 g/mol
LogP2.99
Rot. Bonds

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

2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 58689786) has the molecular formula C8H10F3NO and a molecular weight of 193.17 g/mol. Its IUPAC name is 2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole
PubChem CID58689786
Molecular FormulaC8H10F3NO
Molecular Weight193.17 g/mol
Exact Mass193.07
IUPAC Name2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)(C)c1nc(C(F)(F)F)co1
InChIInChI=1S/C8H10F3NO/c1-7(2,3)6-12-5(4-13-6)8(9,10)11/h4H,1-3H3
InChIKeyOTRWQASWABMYNG-UHFFFAOYSA-N
XLogP2.99
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.17
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole (CID 58689786) is 2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole is CC(C)(C)c1nc(C(F)(F)F)co1.
What is the InChIKey of 2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is OTRWQASWABMYNG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3NO/c1-7(2,3)6-12-5(4-13-6)8(9,10)11/h4H,1-3H3.
What are the key properties of 2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole?
2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 193.17 g/mol, XLogP of 2.99, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 58689786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).