3,5-diethyl-4-[6-[2-(trifluoromethyl)phenoxy]hexyl]-1,2-oxazole

C20H26F3NO2 — CID 5271168

IUPAC3,5-diethyl-4-[6-[2-(trifluoromethyl)phenoxy]hexyl]-1,2-oxazole
SMILESCCc1noc(CC)c1CCCCCCOc1ccccc1C(F)(F)F
InChIInChI=1S/C20H26F3NO2/c1-3-17-15(18(4-2)26-24-17)11-7-5-6-10-14-25-19-13-9-8-12-16(19)20(21,22)23/h8-9,12-13H,3-7,10-11,14H2,1-2H3
InChIKeyRGYNDYPQKWBHDZ-UHFFFAOYSA-N
MW369.43 g/mol
LogP6.00
Rot. Bonds10

About 3,5-diethyl-4-[6-[2-(trifluoromethyl)phenoxy]hexyl]-1,2-oxazole

3,5-diethyl-4-[6-[2-(trifluoromethyl)phenoxy]hexyl]-1,2-oxazole (PubChem CID 5271168) has the molecular formula C20H26F3NO2 and a molecular weight of 369.43 g/mol. Its IUPAC name is 3,5-diethyl-4-[6-[2-(trifluoromethyl)phenoxy]hexyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-diethyl-4-[6-[2-(trifluoromethyl)phenoxy]hexyl]-1,2-oxazole
PubChem CID5271168
Molecular FormulaC20H26F3NO2
Molecular Weight369.43 g/mol
Exact Mass369.19
IUPAC Name3,5-diethyl-4-[6-[2-(trifluoromethyl)phenoxy]hexyl]-1,2-oxazole
SMILESCCc1noc(CC)c1CCCCCCOc1ccccc1C(F)(F)F
InChIInChI=1S/C20H26F3NO2/c1-3-17-15(18(4-2)26-24-17)11-7-5-6-10-14-25-19-13-9-8-12-16(19)20(21,22)23/h8-9,12-13H,3-7,10-11,14H2,1-2H3
InChIKeyRGYNDYPQKWBHDZ-UHFFFAOYSA-N
XLogP6.00
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.43
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-[6-[2-(trifluoromethyl)phenoxy]hexyl]-1,2-oxazole?
The IUPAC name of 3,5-diethyl-4-[6-[2-(trifluoromethyl)phenoxy]hexyl]-1,2-oxazole (CID 5271168) is 3,5-diethyl-4-[6-[2-(trifluoromethyl)phenoxy]hexyl]-1,2-oxazole.
What is the SMILES notation for 3,5-diethyl-4-[6-[2-(trifluoromethyl)phenoxy]hexyl]-1,2-oxazole?
The canonical SMILES for 3,5-diethyl-4-[6-[2-(trifluoromethyl)phenoxy]hexyl]-1,2-oxazole is CCc1noc(CC)c1CCCCCCOc1ccccc1C(F)(F)F.
What is the InChIKey of 3,5-diethyl-4-[6-[2-(trifluoromethyl)phenoxy]hexyl]-1,2-oxazole?
The InChIKey is RGYNDYPQKWBHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26F3NO2/c1-3-17-15(18(4-2)26-24-17)11-7-5-6-10-14-25-19-13-9-8-12-16(19)20(21,22)23/h8-9,12-13H,3-7,10-11,14H2,1-2H3.
What are the key properties of 3,5-diethyl-4-[6-[2-(trifluoromethyl)phenoxy]hexyl]-1,2-oxazole?
3,5-diethyl-4-[6-[2-(trifluoromethyl)phenoxy]hexyl]-1,2-oxazole has a molecular weight of 369.43 g/mol, XLogP of 6.00, 10 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diethyl-4-[6-[2-(trifluoromethyl)phenoxy]hexyl]-1,2-oxazole is sourced from PubChem (CID 5271168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).