2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole

C7H8F3NO — CID 59263817

IUPAC2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)c1nc(C(F)(F)F)co1
InChIInChI=1S/C7H8F3NO/c1-4(2)6-11-5(3-12-6)7(8,9)10/h3-4H,1-2H3
InChIKeyYIKTUGDXOCJEFD-UHFFFAOYSA-N
MW179.14 g/mol
LogP2.82
Rot. Bonds1

About 2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole

2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole (PubChem CID 59263817) has the molecular formula C7H8F3NO and a molecular weight of 179.14 g/mol. Its IUPAC name is 2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
PubChem CID59263817
Molecular FormulaC7H8F3NO
Molecular Weight179.14 g/mol
Exact Mass179.06
IUPAC Name2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole
SMILESCC(C)c1nc(C(F)(F)F)co1
InChIInChI=1S/C7H8F3NO/c1-4(2)6-11-5(3-12-6)7(8,9)10/h3-4H,1-2H3
InChIKeyYIKTUGDXOCJEFD-UHFFFAOYSA-N
XLogP2.82
TPSA26.03 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500179.14
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole?
The IUPAC name of 2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole (CID 59263817) is 2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole.
What is the SMILES notation for 2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole?
The canonical SMILES for 2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole is CC(C)c1nc(C(F)(F)F)co1.
What is the InChIKey of 2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole?
The InChIKey is YIKTUGDXOCJEFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO/c1-4(2)6-11-5(3-12-6)7(8,9)10/h3-4H,1-2H3.
What are the key properties of 2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole?
2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole has a molecular weight of 179.14 g/mol, XLogP of 2.82, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-4-(trifluoromethyl)-1,3-oxazole is sourced from PubChem (CID 59263817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).