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

C19H26FNO2 — CID 5271172

IUPAC3,5-diethyl-4-[6-(2-fluorophenoxy)hexyl]-1,2-oxazole
SMILESCCc1noc(CC)c1CCCCCCOc1ccccc1F
InChIInChI=1S/C19H26FNO2/c1-3-17-15(18(4-2)23-21-17)11-7-5-6-10-14-22-19-13-9-8-12-16(19)20/h8-9,12-13H,3-7,10-11,14H2,1-2H3
InChIKeyJKDYPBWXDMZSJG-UHFFFAOYSA-N
MW319.42 g/mol
LogP5.12
Rot. Bonds10

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

3,5-diethyl-4-[6-(2-fluorophenoxy)hexyl]-1,2-oxazole (PubChem CID 5271172) has the molecular formula C19H26FNO2 and a molecular weight of 319.42 g/mol. Its IUPAC name is 3,5-diethyl-4-[6-(2-fluorophenoxy)hexyl]-1,2-oxazole.

Molecular Properties

Compound Name3,5-diethyl-4-[6-(2-fluorophenoxy)hexyl]-1,2-oxazole
PubChem CID5271172
Molecular FormulaC19H26FNO2
Molecular Weight319.42 g/mol
Exact Mass319.19
IUPAC Name3,5-diethyl-4-[6-(2-fluorophenoxy)hexyl]-1,2-oxazole
SMILESCCc1noc(CC)c1CCCCCCOc1ccccc1F
InChIInChI=1S/C19H26FNO2/c1-3-17-15(18(4-2)23-21-17)11-7-5-6-10-14-22-19-13-9-8-12-16(19)20/h8-9,12-13H,3-7,10-11,14H2,1-2H3
InChIKeyJKDYPBWXDMZSJG-UHFFFAOYSA-N
XLogP5.12
TPSA35.26 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500319.42
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3,5-diethyl-4-[6-(2-fluorophenoxy)hexyl]-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

Frequently Asked Questions

What is the IUPAC name of 3,5-diethyl-4-[6-(2-fluorophenoxy)hexyl]-1,2-oxazole?
The IUPAC name of 3,5-diethyl-4-[6-(2-fluorophenoxy)hexyl]-1,2-oxazole (CID 5271172) is 3,5-diethyl-4-[6-(2-fluorophenoxy)hexyl]-1,2-oxazole.
What is the SMILES notation for 3,5-diethyl-4-[6-(2-fluorophenoxy)hexyl]-1,2-oxazole?
The canonical SMILES for 3,5-diethyl-4-[6-(2-fluorophenoxy)hexyl]-1,2-oxazole is CCc1noc(CC)c1CCCCCCOc1ccccc1F.
What is the InChIKey of 3,5-diethyl-4-[6-(2-fluorophenoxy)hexyl]-1,2-oxazole?
The InChIKey is JKDYPBWXDMZSJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FNO2/c1-3-17-15(18(4-2)23-21-17)11-7-5-6-10-14-22-19-13-9-8-12-16(19)20/h8-9,12-13H,3-7,10-11,14H2,1-2H3.
What are the key properties of 3,5-diethyl-4-[6-(2-fluorophenoxy)hexyl]-1,2-oxazole?
3,5-diethyl-4-[6-(2-fluorophenoxy)hexyl]-1,2-oxazole has a molecular weight of 319.42 g/mol, XLogP of 5.12, 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-fluorophenoxy)hexyl]-1,2-oxazole is sourced from PubChem (CID 5271172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).