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

C18H12FN3O2 — CID 3159262

IUPAC5-(2-fluorophenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
SMILESCOc1nc2ccccc2cc1-c1noc(-c2ccccc2F)n1
InChIInChI=1S/C18H12FN3O2/c1-23-17-13(10-11-6-2-5-9-15(11)20-17)16-21-18(24-22-16)12-7-3-4-8-14(12)19/h2-10H,1H3
InChIKeyZVKWEUQCAAIGDN-UHFFFAOYSA-N
MW321.31 g/mol
LogP4.10
Rot. Bonds3

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

5-(2-fluorophenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole (PubChem CID 3159262) has the molecular formula C18H12FN3O2 and a molecular weight of 321.31 g/mol. Its IUPAC name is 5-(2-fluorophenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2-fluorophenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
PubChem CID3159262
Molecular FormulaC18H12FN3O2
Molecular Weight321.31 g/mol
Exact Mass321.09
IUPAC Name5-(2-fluorophenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
SMILESCOc1nc2ccccc2cc1-c1noc(-c2ccccc2F)n1
InChIInChI=1S/C18H12FN3O2/c1-23-17-13(10-11-6-2-5-9-15(11)20-17)16-21-18(24-22-16)12-7-3-4-8-14(12)19/h2-10H,1H3
InChIKeyZVKWEUQCAAIGDN-UHFFFAOYSA-N
XLogP4.10
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.31
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(2-fluorophenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2-fluorophenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole (CID 3159262) is 5-(2-fluorophenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2-fluorophenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2-fluorophenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole is COc1nc2ccccc2cc1-c1noc(-c2ccccc2F)n1.
What is the InChIKey of 5-(2-fluorophenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole?
The InChIKey is ZVKWEUQCAAIGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H12FN3O2/c1-23-17-13(10-11-6-2-5-9-15(11)20-17)16-21-18(24-22-16)12-7-3-4-8-14(12)19/h2-10H,1H3.
What are the key properties of 5-(2-fluorophenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole?
5-(2-fluorophenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole has a molecular weight of 321.31 g/mol, XLogP of 4.10, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-fluorophenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 3159262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).