5-ethyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole

C12H12F3NO2 — CID 68827065

IUPAC5-ethyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole
SMILESCCC1=CCN(Oc2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C12H12F3NO2/c1-2-10-7-8-16(17-10)18-11-5-3-9(4-6-11)12(13,14)15/h3-7H,2,8H2,1H3
InChIKeyBJUQTWQWTNSORL-UHFFFAOYSA-N
MW259.23 g/mol
LogP3.54
Rot. Bonds3

About 5-ethyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole

5-ethyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole (PubChem CID 68827065) has the molecular formula C12H12F3NO2 and a molecular weight of 259.23 g/mol. Its IUPAC name is 5-ethyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole.

Molecular Properties

Compound Name5-ethyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole
PubChem CID68827065
Molecular FormulaC12H12F3NO2
Molecular Weight259.23 g/mol
Exact Mass259.08
IUPAC Name5-ethyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole
SMILESCCC1=CCN(Oc2ccc(C(F)(F)F)cc2)O1
InChIInChI=1S/C12H12F3NO2/c1-2-10-7-8-16(17-10)18-11-5-3-9(4-6-11)12(13,14)15/h3-7H,2,8H2,1H3
InChIKeyBJUQTWQWTNSORL-UHFFFAOYSA-N
XLogP3.54
TPSA21.70 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.23
LogP ≤ 53.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-ethyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(p-trifluoromethylphenoxy)-N-methyl-3-phenylpropylamine
CID 18618697
Dimethylsulfamic acid 4-(trifluoromethyl)phenyl ester
CID 44622898
N-[4-(trifluoromethyl)phenoxy]acetamide
CID 162546353
p-trifluoromethylphenoxy-N-methyl-propylamine
CID 129716509
1-[4-(Trifluoromethyl)phenoxy]azetidine
CID 17992326
1-[4-(Trifluoromethyl)phenoxy]piperidine
CID 19017572
4-Methyl-1-[4-(trifluoromethyl)phenoxy]piperidine
CID 67274811
3,4-Dimethyl-1-[4-(trifluoromethyl)phenoxy]pyrrole-2,5-dione
CID 68365233
2-(2,5-difluorophenoxy)-5-methyl-3H-1,2-oxazole
CID 68824905
2-(2,5-difluorophenoxy)-5-ethyl-3H-1,2-oxazole
CID 68825339
5-methyl-2-[4-(trifluoromethyl)phenoxy]-5H-1,2-oxazole
CID 68826368
5-methyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole
CID 68826369

Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole?
The IUPAC name of 5-ethyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole (CID 68827065) is 5-ethyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole.
What is the SMILES notation for 5-ethyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole?
The canonical SMILES for 5-ethyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole is CCC1=CCN(Oc2ccc(C(F)(F)F)cc2)O1.
What is the InChIKey of 5-ethyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole?
The InChIKey is BJUQTWQWTNSORL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12F3NO2/c1-2-10-7-8-16(17-10)18-11-5-3-9(4-6-11)12(13,14)15/h3-7H,2,8H2,1H3.
What are the key properties of 5-ethyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole?
5-ethyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole has a molecular weight of 259.23 g/mol, XLogP of 3.54, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-[4-(trifluoromethyl)phenoxy]-3H-1,2-oxazole is sourced from PubChem (CID 68827065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).