3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole

C19H14FN3O2 — CID 3266698

IUPAC3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCCOc1nc2ccccc2cc1-c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H14FN3O2/c1-2-24-19-15(11-13-5-3-4-6-16(13)21-19)17-22-18(25-23-17)12-7-9-14(20)10-8-12/h3-11H,2H2,1H3
InChIKeyXFZOKNBZEHCCJG-UHFFFAOYSA-N
MW335.34 g/mol
LogP4.49
Rot. Bonds4

About 3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole

3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole (PubChem CID 3266698) has the molecular formula C19H14FN3O2 and a molecular weight of 335.34 g/mol. Its IUPAC name is 3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
PubChem CID3266698
Molecular FormulaC19H14FN3O2
Molecular Weight335.34 g/mol
Exact Mass335.11
IUPAC Name3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
SMILESCCOc1nc2ccccc2cc1-c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C19H14FN3O2/c1-2-24-19-15(11-13-5-3-4-6-16(13)21-19)17-22-18(25-23-17)12-7-9-14(20)10-8-12/h3-11H,2H2,1H3
InChIKeyXFZOKNBZEHCCJG-UHFFFAOYSA-N
XLogP4.49
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.34
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(3,5-dimethoxyphenyl)-3-(2-ethoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 4552356
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 4318522
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(4-methylphenyl)-1,2,4-oxadiazole
CID 3549923
3-(2-ethoxyquinolin-3-yl)-5-(phenoxymethyl)-1,2,4-oxadiazole
CID 2023299
3-(2-ethoxy-7-methylquinolin-3-yl)-5-pyridin-4-yl-1,2,4-oxadiazole
CID 3586075
3-(2-ethoxy-6-methoxyquinolin-3-yl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 5176334
5-(4-fluorophenyl)-3-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 102429088
3-(2-methoxyquinolin-3-yl)-5-pyridin-3-yl-1,2,4-oxadiazole
CID 665532
3-(2-ethoxy-6-phenyl-3-pyridinyl)-5-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 2013900
5-(4-chlorophenyl)-3-(2-ethoxy-6-phenyl-3-pyridinyl)-1,2,4-oxadiazole
CID 2005312
5-(2-ethoxyphenyl)-3-(2-methoxy-6-methylquinolin-3-yl)-1,2,4-oxadiazole
CID 3788244
3-(2-chlorophenyl)-5-(4-fluorophenyl)-1,2,4-oxadiazole
CID 2183774

Frequently Asked Questions

What is the IUPAC name of 3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole (CID 3266698) is 3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole is CCOc1nc2ccccc2cc1-c1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of 3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole?
The InChIKey is XFZOKNBZEHCCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14FN3O2/c1-2-24-19-15(11-13-5-3-4-6-16(13)21-19)17-22-18(25-23-17)12-7-9-14(20)10-8-12/h3-11H,2H2,1H3.
What are the key properties of 3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole?
3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole has a molecular weight of 335.34 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-ethoxyquinolin-3-yl)-5-(4-fluorophenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 3266698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).