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

C21H17N3O3 — CID 127041292

IUPAC5-(3-methoxyphenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(/C=C/c3cc4ccccc4nc3OC)no2)c1
InChIInChI=1S/C21H17N3O3/c1-25-17-8-5-7-15(13-17)21-23-19(24-27-21)11-10-16-12-14-6-3-4-9-18(14)22-20(16)26-2/h3-13H,1-2H3/b11-10+
InChIKeyDTAVMOZQBLJMMJ-ZHACJKMWSA-N
MW359.39 g/mol
LogP4.47
Rot. Bonds5

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

5-(3-methoxyphenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole (PubChem CID 127041292) has the molecular formula C21H17N3O3 and a molecular weight of 359.39 g/mol. Its IUPAC name is 5-(3-methoxyphenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-methoxyphenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole
PubChem CID127041292
Molecular FormulaC21H17N3O3
Molecular Weight359.39 g/mol
Exact Mass359.13
IUPAC Name5-(3-methoxyphenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole
SMILESCOc1cccc(-c2nc(/C=C/c3cc4ccccc4nc3OC)no2)c1
InChIInChI=1S/C21H17N3O3/c1-25-17-8-5-7-15(13-17)21-23-19(24-27-21)11-10-16-12-14-6-3-4-9-18(14)22-20(16)26-2/h3-13H,1-2H3/b11-10+
InChIKeyDTAVMOZQBLJMMJ-ZHACJKMWSA-N
XLogP4.47
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.39
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 5-(3-methoxyphenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole with MolForge

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Related Compounds

2-(2-methoxyphenyl)-N-[4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl]acetamide
CID 3236979
5-(2-Ethoxyphenyl)-3-(2-methoxyquinolin-3-yl)-1,2,4-oxadiazole
CID 665510
2-[5-(3-Methoxy-phenyl)-[1,2,4]oxadiazol-3-yl]-pyridine
CID 789864
3-(2-Methoxy-6-(4-methoxyphenyl)pyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664083
3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-phenylpyridine
CID 664462
2-Methoxy-6-(4-methoxyphenyl)-3-[5-(2-methylphenyl)-1,2,4-oxadiazol-3-yl]pyridine
CID 664499
3-(2-Methoxy-6-phenylpyridin-3-yl)-5-phenyl-1,2,4-oxadiazole
CID 664623
3-(2-Methoxy-6-methyl-3-pyridinyl)-5-(2-methoxyphenyl)-1,2,4-oxadiazole
CID 913814
6-Methoxy-3-(5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl)quinolin-2-ol
CID 946390
N-{4-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]phenyl}isonicotinamide
CID 1292479
3-[5-(2-Fluorophenyl)-1,2,4-oxadiazol-3-yl]-2-methoxy-6-(4-methoxyphenyl)pyridine
CID 2021036
2-Methoxy-3-[5-(3-methoxyphenyl)-1,2,4-oxadiazol-3-yl]-6-phenylpyridine
CID 4034528

Frequently Asked Questions

What is the IUPAC name of 5-(3-methoxyphenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(3-methoxyphenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole (CID 127041292) is 5-(3-methoxyphenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-methoxyphenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-methoxyphenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole is COc1cccc(-c2nc(/C=C/c3cc4ccccc4nc3OC)no2)c1.
What is the InChIKey of 5-(3-methoxyphenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole?
The InChIKey is DTAVMOZQBLJMMJ-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H17N3O3/c1-25-17-8-5-7-15(13-17)21-23-19(24-27-21)11-10-16-12-14-6-3-4-9-18(14)22-20(16)26-2/h3-13H,1-2H3/b11-10+.
What are the key properties of 5-(3-methoxyphenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole?
5-(3-methoxyphenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole has a molecular weight of 359.39 g/mol, XLogP of 4.47, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-methoxyphenyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 127041292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).