3,5-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole

C13H12F3NO2 — CID 2457274

IUPAC3,5-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole
SMILESCc1noc(C)c1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3NO2/c1-8-12(9(2)19-17-8)7-18-11-5-3-4-10(6-11)13(14,15)16/h3-6H,7H2,1-2H3
InChIKeySOXURVZPCRHBQK-UHFFFAOYSA-N
MW271.24 g/mol
LogP3.89
Rot. Bonds3

About 3,5-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole

3,5-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole (PubChem CID 2457274) has the molecular formula C13H12F3NO2 and a molecular weight of 271.24 g/mol. Its IUPAC name is 3,5-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole
PubChem CID2457274
Molecular FormulaC13H12F3NO2
Molecular Weight271.24 g/mol
Exact Mass271.08
IUPAC Name3,5-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole
SMILESCc1noc(C)c1COc1cccc(C(F)(F)F)c1
InChIInChI=1S/C13H12F3NO2/c1-8-12(9(2)19-17-8)7-18-11-5-3-4-10(6-11)13(14,15)16/h3-6H,7H2,1-2H3
InChIKeySOXURVZPCRHBQK-UHFFFAOYSA-N
XLogP3.89
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.24
LogP ≤ 53.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole?
The IUPAC name of 3,5-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole (CID 2457274) is 3,5-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole.
What is the SMILES notation for 3,5-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole?
The canonical SMILES for 3,5-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole is Cc1noc(C)c1COc1cccc(C(F)(F)F)c1.
What is the InChIKey of 3,5-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole?
The InChIKey is SOXURVZPCRHBQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO2/c1-8-12(9(2)19-17-8)7-18-11-5-3-4-10(6-11)13(14,15)16/h3-6H,7H2,1-2H3.
What are the key properties of 3,5-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole?
3,5-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole has a molecular weight of 271.24 g/mol, XLogP of 3.89, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethyl-4-[[3-(trifluoromethyl)phenoxy]methyl]-1,2-oxazole is sourced from PubChem (CID 2457274), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).