4-[5-(2-methoxyethyl)-2-(trifluoromethoxy)phenyl]-1,2-oxazole

C13H12F3NO3 — CID 176990582

IUPAC4-[5-(2-methoxyethyl)-2-(trifluoromethoxy)phenyl]-1,2-oxazole
SMILESCOCCc1ccc(OC(F)(F)F)c(-c2cnoc2)c1
InChIInChI=1S/C13H12F3NO3/c1-18-5-4-9-2-3-12(20-13(14,15)16)11(6-9)10-7-17-19-8-10/h2-3,6-8H,4-5H2,1H3
InChIKeyHRPUNZUTEZNNED-UHFFFAOYSA-N
MW287.24 g/mol
LogP3.43
Rot. Bonds5

About 4-[5-(2-methoxyethyl)-2-(trifluoromethoxy)phenyl]-1,2-oxazole

4-[5-(2-methoxyethyl)-2-(trifluoromethoxy)phenyl]-1,2-oxazole (PubChem CID 176990582) has the molecular formula C13H12F3NO3 and a molecular weight of 287.24 g/mol. Its IUPAC name is 4-[5-(2-methoxyethyl)-2-(trifluoromethoxy)phenyl]-1,2-oxazole.

Molecular Properties

Compound Name4-[5-(2-methoxyethyl)-2-(trifluoromethoxy)phenyl]-1,2-oxazole
PubChem CID176990582
Molecular FormulaC13H12F3NO3
Molecular Weight287.24 g/mol
Exact Mass287.08
IUPAC Name4-[5-(2-methoxyethyl)-2-(trifluoromethoxy)phenyl]-1,2-oxazole
SMILESCOCCc1ccc(OC(F)(F)F)c(-c2cnoc2)c1
InChIInChI=1S/C13H12F3NO3/c1-18-5-4-9-2-3-12(20-13(14,15)16)11(6-9)10-7-17-19-8-10/h2-3,6-8H,4-5H2,1H3
InChIKeyHRPUNZUTEZNNED-UHFFFAOYSA-N
XLogP3.43
TPSA44.49 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.24
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(2-methoxyethyl)-2-(trifluoromethoxy)phenyl]-1,2-oxazole?
The IUPAC name of 4-[5-(2-methoxyethyl)-2-(trifluoromethoxy)phenyl]-1,2-oxazole (CID 176990582) is 4-[5-(2-methoxyethyl)-2-(trifluoromethoxy)phenyl]-1,2-oxazole.
What is the SMILES notation for 4-[5-(2-methoxyethyl)-2-(trifluoromethoxy)phenyl]-1,2-oxazole?
The canonical SMILES for 4-[5-(2-methoxyethyl)-2-(trifluoromethoxy)phenyl]-1,2-oxazole is COCCc1ccc(OC(F)(F)F)c(-c2cnoc2)c1.
What is the InChIKey of 4-[5-(2-methoxyethyl)-2-(trifluoromethoxy)phenyl]-1,2-oxazole?
The InChIKey is HRPUNZUTEZNNED-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F3NO3/c1-18-5-4-9-2-3-12(20-13(14,15)16)11(6-9)10-7-17-19-8-10/h2-3,6-8H,4-5H2,1H3.
What are the key properties of 4-[5-(2-methoxyethyl)-2-(trifluoromethoxy)phenyl]-1,2-oxazole?
4-[5-(2-methoxyethyl)-2-(trifluoromethoxy)phenyl]-1,2-oxazole has a molecular weight of 287.24 g/mol, XLogP of 3.43, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(2-methoxyethyl)-2-(trifluoromethoxy)phenyl]-1,2-oxazole is sourced from PubChem (CID 176990582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).