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

C21H17N3O2 — CID 127041291

IUPAC3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1nc2ccccc2cc1/C=C/c1noc(-c2cccc(C)c2)n1
InChIInChI=1S/C21H17N3O2/c1-14-6-5-8-16(12-14)21-23-19(24-26-21)11-10-17-13-15-7-3-4-9-18(15)22-20(17)25-2/h3-13H,1-2H3/b11-10+
InChIKeyNMRZKWFGDLHGBP-ZHACJKMWSA-N
MW343.39 g/mol
LogP4.77
Rot. Bonds4

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

3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 127041291) has the molecular formula C21H17N3O2 and a molecular weight of 343.39 g/mol. Its IUPAC name is 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID127041291
Molecular FormulaC21H17N3O2
Molecular Weight343.39 g/mol
Exact Mass343.13
IUPAC Name3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1nc2ccccc2cc1/C=C/c1noc(-c2cccc(C)c2)n1
InChIInChI=1S/C21H17N3O2/c1-14-6-5-8-16(12-14)21-23-19(24-26-21)11-10-17-13-15-7-3-4-9-18(15)22-20(17)25-2/h3-13H,1-2H3/b11-10+
InChIKeyNMRZKWFGDLHGBP-ZHACJKMWSA-N
XLogP4.77
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.39
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole (CID 127041291) is 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole is COc1nc2ccccc2cc1/C=C/c1noc(-c2cccc(C)c2)n1.
What is the InChIKey of 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is NMRZKWFGDLHGBP-ZHACJKMWSA-N. The full InChI is InChI=1S/C21H17N3O2/c1-14-6-5-8-16(12-14)21-23-19(24-26-21)11-10-17-13-15-7-3-4-9-18(15)22-20(17)25-2/h3-13H,1-2H3/b11-10+.
What are the key properties of 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole?
3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 343.39 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 127041291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).