5-propan-2-yl-3-(trifluoromethoxy)-1,2-oxazole

C7H8F3NO2 — CID 144946113

IUPAC5-propan-2-yl-3-(trifluoromethoxy)-1,2-oxazole
SMILESCC(C)c1cc(OC(F)(F)F)no1
InChIInChI=1S/C7H8F3NO2/c1-4(2)5-3-6(11-13-5)12-7(8,9)10/h3-4H,1-2H3
InChIKeyLZCRRGGZZDJGEL-UHFFFAOYSA-N
MW195.14 g/mol
LogP2.70
Rot. Bonds2

About 5-propan-2-yl-3-(trifluoromethoxy)-1,2-oxazole

5-propan-2-yl-3-(trifluoromethoxy)-1,2-oxazole (PubChem CID 144946113) has the molecular formula C7H8F3NO2 and a molecular weight of 195.14 g/mol. Its IUPAC name is 5-propan-2-yl-3-(trifluoromethoxy)-1,2-oxazole.

Molecular Properties

Compound Name5-propan-2-yl-3-(trifluoromethoxy)-1,2-oxazole
PubChem CID144946113
Molecular FormulaC7H8F3NO2
Molecular Weight195.14 g/mol
Exact Mass195.05
IUPAC Name5-propan-2-yl-3-(trifluoromethoxy)-1,2-oxazole
SMILESCC(C)c1cc(OC(F)(F)F)no1
InChIInChI=1S/C7H8F3NO2/c1-4(2)5-3-6(11-13-5)12-7(8,9)10/h3-4H,1-2H3
InChIKeyLZCRRGGZZDJGEL-UHFFFAOYSA-N
XLogP2.70
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.14
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-propan-2-yl-3-(trifluoromethoxy)-1,2-oxazole?
The IUPAC name of 5-propan-2-yl-3-(trifluoromethoxy)-1,2-oxazole (CID 144946113) is 5-propan-2-yl-3-(trifluoromethoxy)-1,2-oxazole.
What is the SMILES notation for 5-propan-2-yl-3-(trifluoromethoxy)-1,2-oxazole?
The canonical SMILES for 5-propan-2-yl-3-(trifluoromethoxy)-1,2-oxazole is CC(C)c1cc(OC(F)(F)F)no1.
What is the InChIKey of 5-propan-2-yl-3-(trifluoromethoxy)-1,2-oxazole?
The InChIKey is LZCRRGGZZDJGEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8F3NO2/c1-4(2)5-3-6(11-13-5)12-7(8,9)10/h3-4H,1-2H3.
What are the key properties of 5-propan-2-yl-3-(trifluoromethoxy)-1,2-oxazole?
5-propan-2-yl-3-(trifluoromethoxy)-1,2-oxazole has a molecular weight of 195.14 g/mol, XLogP of 2.70, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-propan-2-yl-3-(trifluoromethoxy)-1,2-oxazole is sourced from PubChem (CID 144946113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).