4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole

C10H6F3NO2 — CID 117233378

IUPAC4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole
SMILESFC(F)(F)c1ccc(Oc2cnoc2)cc1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)7-1-3-8(4-2-7)16-9-5-14-15-6-9/h1-6H
InChIKeyDWXUMNOLKNNOOO-UHFFFAOYSA-N
MW229.16 g/mol
LogP3.49
Rot. Bonds2

About 4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole

4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole (PubChem CID 117233378) has the molecular formula C10H6F3NO2 and a molecular weight of 229.16 g/mol. Its IUPAC name is 4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole.

Molecular Properties

Compound Name4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole
PubChem CID117233378
Molecular FormulaC10H6F3NO2
Molecular Weight229.16 g/mol
Exact Mass229.04
IUPAC Name4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole
SMILESFC(F)(F)c1ccc(Oc2cnoc2)cc1
InChIInChI=1S/C10H6F3NO2/c11-10(12,13)7-1-3-8(4-2-7)16-9-5-14-15-6-9/h1-6H
InChIKeyDWXUMNOLKNNOOO-UHFFFAOYSA-N
XLogP3.49
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.16
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1,2-oxazol-4-yloxy)phenol
CID 115014786
4-(1,2-oxazol-4-yloxy)aniline
CID 115014641
4-[4-(trifluoromethyl)phenoxy]-1H-pyrazole
CID 117233520
2-[4-(trifluoromethyl)phenoxy]-1,3-oxazol-4-amine
CID 117188911
5-[4-(trifluoromethyl)phenoxy]pyrimidine-2-carboxylic acid
CID 117231567
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanamine
CID 3809622
1-(1,1,1,3,3,3-hexafluoropropan-2-yl)-4-[4-(trifluoromethyl)phenoxy]benzene
CID 151658047
[4-[4-(trifluoromethyl)phenoxy]phenyl]methanediol
CID 163225602
5-chloro-1-methyl-2-[4-(trifluoromethyl)phenoxy]imidazole
CID 117260362
3-bromo-5-[4-(trifluoromethyl)phenoxy]pyridin-2-amine
CID 171590489
5-[4-(trifluoromethyl)phenoxy]pyridine-2-carbothioamide
CID 115488880
3-methyl-2-[4-(trifluoromethyl)phenoxy]imidazol-4-amine
CID 117190489

Frequently Asked Questions

What is the IUPAC name of 4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole?
The IUPAC name of 4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole (CID 117233378) is 4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole.
What is the SMILES notation for 4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole?
The canonical SMILES for 4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole is FC(F)(F)c1ccc(Oc2cnoc2)cc1.
What is the InChIKey of 4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole?
The InChIKey is DWXUMNOLKNNOOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H6F3NO2/c11-10(12,13)7-1-3-8(4-2-7)16-9-5-14-15-6-9/h1-6H.
What are the key properties of 4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole?
4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole has a molecular weight of 229.16 g/mol, XLogP of 3.49, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(trifluoromethyl)phenoxy]-1,2-oxazole is sourced from PubChem (CID 117233378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).