3-[3-(trifluoromethoxy)cyclobutyl]-1,2-oxazole

C8H8F3NO2 — CID 175219340

IUPAC3-[3-(trifluoromethoxy)cyclobutyl]-1,2-oxazole
SMILESFC(F)(F)OC1CC(c2ccon2)C1
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)14-6-3-5(4-6)7-1-2-13-12-7/h1-2,5-6H,3-4H2
InChIKeyHGEPGBMWOTVZPD-UHFFFAOYSA-N
MW207.15 g/mol
LogP2.46
Rot. Bonds2

About 3-[3-(trifluoromethoxy)cyclobutyl]-1,2-oxazole

3-[3-(trifluoromethoxy)cyclobutyl]-1,2-oxazole (PubChem CID 175219340) has the molecular formula C8H8F3NO2 and a molecular weight of 207.15 g/mol. Its IUPAC name is 3-[3-(trifluoromethoxy)cyclobutyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[3-(trifluoromethoxy)cyclobutyl]-1,2-oxazole
PubChem CID175219340
Molecular FormulaC8H8F3NO2
Molecular Weight207.15 g/mol
Exact Mass207.05
IUPAC Name3-[3-(trifluoromethoxy)cyclobutyl]-1,2-oxazole
SMILESFC(F)(F)OC1CC(c2ccon2)C1
InChIInChI=1S/C8H8F3NO2/c9-8(10,11)14-6-3-5(4-6)7-1-2-13-12-7/h1-2,5-6H,3-4H2
InChIKeyHGEPGBMWOTVZPD-UHFFFAOYSA-N
XLogP2.46
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.15
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[3-(trifluoromethoxy)cyclobutyl]-1,2-oxazole?
The IUPAC name of 3-[3-(trifluoromethoxy)cyclobutyl]-1,2-oxazole (CID 175219340) is 3-[3-(trifluoromethoxy)cyclobutyl]-1,2-oxazole.
What is the SMILES notation for 3-[3-(trifluoromethoxy)cyclobutyl]-1,2-oxazole?
The canonical SMILES for 3-[3-(trifluoromethoxy)cyclobutyl]-1,2-oxazole is FC(F)(F)OC1CC(c2ccon2)C1.
What is the InChIKey of 3-[3-(trifluoromethoxy)cyclobutyl]-1,2-oxazole?
The InChIKey is HGEPGBMWOTVZPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8F3NO2/c9-8(10,11)14-6-3-5(4-6)7-1-2-13-12-7/h1-2,5-6H,3-4H2.
What are the key properties of 3-[3-(trifluoromethoxy)cyclobutyl]-1,2-oxazole?
3-[3-(trifluoromethoxy)cyclobutyl]-1,2-oxazole has a molecular weight of 207.15 g/mol, XLogP of 2.46, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(trifluoromethoxy)cyclobutyl]-1,2-oxazole is sourced from PubChem (CID 175219340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).