5-(4-fluorophenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole

C20H14FN3O2 — CID 127040959

IUPAC5-(4-fluorophenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole
SMILESCOc1nc2ccccc2cc1/C=C/c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H14FN3O2/c1-25-19-15(12-14-4-2-3-5-17(14)22-19)8-11-18-23-20(26-24-18)13-6-9-16(21)10-7-13/h2-12H,1H3/b11-8+
InChIKeyYZTXJBYPFXQBME-DHZHZOJOSA-N
MW347.35 g/mol
LogP4.60
Rot. Bonds4

About 5-(4-fluorophenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole

5-(4-fluorophenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole (PubChem CID 127040959) has the molecular formula C20H14FN3O2 and a molecular weight of 347.35 g/mol. Its IUPAC name is 5-(4-fluorophenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-fluorophenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole
PubChem CID127040959
Molecular FormulaC20H14FN3O2
Molecular Weight347.35 g/mol
Exact Mass347.11
IUPAC Name5-(4-fluorophenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole
SMILESCOc1nc2ccccc2cc1/C=C/c1noc(-c2ccc(F)cc2)n1
InChIInChI=1S/C20H14FN3O2/c1-25-19-15(12-14-4-2-3-5-17(14)22-19)8-11-18-23-20(26-24-18)13-6-9-16(21)10-7-13/h2-12H,1H3/b11-8+
InChIKeyYZTXJBYPFXQBME-DHZHZOJOSA-N
XLogP4.60
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.35
LogP ≤ 54.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(4-fluorophenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(4-fluorophenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole (CID 127040959) is 5-(4-fluorophenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-fluorophenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-fluorophenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole is COc1nc2ccccc2cc1/C=C/c1noc(-c2ccc(F)cc2)n1.
What is the InChIKey of 5-(4-fluorophenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole?
The InChIKey is YZTXJBYPFXQBME-DHZHZOJOSA-N. The full InChI is InChI=1S/C20H14FN3O2/c1-25-19-15(12-14-4-2-3-5-17(14)22-19)8-11-18-23-20(26-24-18)13-6-9-16(21)10-7-13/h2-12H,1H3/b11-8+.
What are the key properties of 5-(4-fluorophenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole?
5-(4-fluorophenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole has a molecular weight of 347.35 g/mol, XLogP of 4.60, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-fluorophenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 127040959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).