4-[5-ethyl-2-(trifluoromethoxy)phenyl]-1,2-oxazole;methoxyethane

C15H18F3NO3 — CID 176990485

IUPAC4-[5-ethyl-2-(trifluoromethoxy)phenyl]-1,2-oxazole;methoxyethane
SMILESCCOC.CCc1ccc(OC(F)(F)F)c(-c2cnoc2)c1
InChIInChI=1S/C12H10F3NO2.C3H8O/c1-2-8-3-4-11(18-12(13,14)15)10(5-8)9-6-16-17-7-9;1-3-4-2/h3-7H,2H2,1H3;3H2,1-2H3
InChIKeyQEBZKMPPUGZIRK-UHFFFAOYSA-N
MW317.31 g/mol
LogP4.46
Rot. Bonds4

About 4-[5-ethyl-2-(trifluoromethoxy)phenyl]-1,2-oxazole;methoxyethane

4-[5-ethyl-2-(trifluoromethoxy)phenyl]-1,2-oxazole;methoxyethane (PubChem CID 176990485) has the molecular formula C15H18F3NO3 and a molecular weight of 317.31 g/mol. Its IUPAC name is 4-[5-ethyl-2-(trifluoromethoxy)phenyl]-1,2-oxazole;methoxyethane.

Molecular Properties

Compound Name4-[5-ethyl-2-(trifluoromethoxy)phenyl]-1,2-oxazole;methoxyethane
PubChem CID176990485
Molecular FormulaC15H18F3NO3
Molecular Weight317.31 g/mol
Exact Mass317.12
IUPAC Name4-[5-ethyl-2-(trifluoromethoxy)phenyl]-1,2-oxazole;methoxyethane
SMILESCCOC.CCc1ccc(OC(F)(F)F)c(-c2cnoc2)c1
InChIInChI=1S/C12H10F3NO2.C3H8O/c1-2-8-3-4-11(18-12(13,14)15)10(5-8)9-6-16-17-7-9;1-3-4-2/h3-7H,2H2,1H3;3H2,1-2H3
InChIKeyQEBZKMPPUGZIRK-UHFFFAOYSA-N
XLogP4.46
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.31
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-ethyl-2-(trifluoromethoxy)phenyl]-1,2-oxazole;methoxyethane?
The IUPAC name of 4-[5-ethyl-2-(trifluoromethoxy)phenyl]-1,2-oxazole;methoxyethane (CID 176990485) is 4-[5-ethyl-2-(trifluoromethoxy)phenyl]-1,2-oxazole;methoxyethane.
What is the SMILES notation for 4-[5-ethyl-2-(trifluoromethoxy)phenyl]-1,2-oxazole;methoxyethane?
The canonical SMILES for 4-[5-ethyl-2-(trifluoromethoxy)phenyl]-1,2-oxazole;methoxyethane is CCOC.CCc1ccc(OC(F)(F)F)c(-c2cnoc2)c1.
What is the InChIKey of 4-[5-ethyl-2-(trifluoromethoxy)phenyl]-1,2-oxazole;methoxyethane?
The InChIKey is QEBZKMPPUGZIRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10F3NO2.C3H8O/c1-2-8-3-4-11(18-12(13,14)15)10(5-8)9-6-16-17-7-9;1-3-4-2/h3-7H,2H2,1H3;3H2,1-2H3.
What are the key properties of 4-[5-ethyl-2-(trifluoromethoxy)phenyl]-1,2-oxazole;methoxyethane?
4-[5-ethyl-2-(trifluoromethoxy)phenyl]-1,2-oxazole;methoxyethane has a molecular weight of 317.31 g/mol, XLogP of 4.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-ethyl-2-(trifluoromethoxy)phenyl]-1,2-oxazole;methoxyethane is sourced from PubChem (CID 176990485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).