4-[5-[3-[2-(2-fluoroethoxy)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-N-methylaniline

C19H20FN3O3 — CID 44548111

IUPAC4-[5-[3-[2-(2-fluoroethoxy)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-N-methylaniline
SMILESCNc1ccc(-c2nnc(-c3cccc(OCCOCCF)c3)o2)cc1
InChIInChI=1S/C19H20FN3O3/c1-21-16-7-5-14(6-8-16)18-22-23-19(26-18)15-3-2-4-17(13-15)25-12-11-24-10-9-20/h2-8,13,21H,9-12H2,1H3
InChIKeyJEGYVTJGCFKIEU-UHFFFAOYSA-N
MW357.39 g/mol
LogP3.81
Rot. Bonds9

About 4-[5-[3-[2-(2-fluoroethoxy)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-N-methylaniline

4-[5-[3-[2-(2-fluoroethoxy)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-N-methylaniline (PubChem CID 44548111) has the molecular formula C19H20FN3O3 and a molecular weight of 357.39 g/mol. Its IUPAC name is 4-[5-[3-[2-(2-fluoroethoxy)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-N-methylaniline.

Molecular Properties

Compound Name4-[5-[3-[2-(2-fluoroethoxy)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-N-methylaniline
PubChem CID44548111
Molecular FormulaC19H20FN3O3
Molecular Weight357.39 g/mol
Exact Mass357.15
IUPAC Name4-[5-[3-[2-(2-fluoroethoxy)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-N-methylaniline
SMILESCNc1ccc(-c2nnc(-c3cccc(OCCOCCF)c3)o2)cc1
InChIInChI=1S/C19H20FN3O3/c1-21-16-7-5-14(6-8-16)18-22-23-19(26-18)15-3-2-4-17(13-15)25-12-11-24-10-9-20/h2-8,13,21H,9-12H2,1H3
InChIKeyJEGYVTJGCFKIEU-UHFFFAOYSA-N
XLogP3.81
TPSA69.41 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 53.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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 4-[5-[3-[2-(2-fluoroethoxy)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-N-methylaniline?
The IUPAC name of 4-[5-[3-[2-(2-fluoroethoxy)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-N-methylaniline (CID 44548111) is 4-[5-[3-[2-(2-fluoroethoxy)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-N-methylaniline.
What is the SMILES notation for 4-[5-[3-[2-(2-fluoroethoxy)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-N-methylaniline?
The canonical SMILES for 4-[5-[3-[2-(2-fluoroethoxy)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-N-methylaniline is CNc1ccc(-c2nnc(-c3cccc(OCCOCCF)c3)o2)cc1.
What is the InChIKey of 4-[5-[3-[2-(2-fluoroethoxy)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-N-methylaniline?
The InChIKey is JEGYVTJGCFKIEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20FN3O3/c1-21-16-7-5-14(6-8-16)18-22-23-19(26-18)15-3-2-4-17(13-15)25-12-11-24-10-9-20/h2-8,13,21H,9-12H2,1H3.
What are the key properties of 4-[5-[3-[2-(2-fluoroethoxy)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-N-methylaniline?
4-[5-[3-[2-(2-fluoroethoxy)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-N-methylaniline has a molecular weight of 357.39 g/mol, XLogP of 3.81, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-[3-[2-(2-fluoroethoxy)ethoxy]phenyl]-1,3,4-oxadiazol-2-yl]-N-methylaniline is sourced from PubChem (CID 44548111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).