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

C20H15N3O2 — CID 127042150

IUPAC3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-phenyl-1,2,4-oxadiazole
SMILESCOc1nc2ccccc2cc1/C=C/c1noc(-c2ccccc2)n1
InChIInChI=1S/C20H15N3O2/c1-24-19-16(13-15-9-5-6-10-17(15)21-19)11-12-18-22-20(25-23-18)14-7-3-2-4-8-14/h2-13H,1H3/b12-11+
InChIKeyBFXKHFPKEMSWBM-VAWYXSNFSA-N
MW329.36 g/mol
LogP4.46
Rot. Bonds4

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

3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-phenyl-1,2,4-oxadiazole (PubChem CID 127042150) has the molecular formula C20H15N3O2 and a molecular weight of 329.36 g/mol. Its IUPAC name is 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-phenyl-1,2,4-oxadiazole
PubChem CID127042150
Molecular FormulaC20H15N3O2
Molecular Weight329.36 g/mol
Exact Mass329.12
IUPAC Name3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-phenyl-1,2,4-oxadiazole
SMILESCOc1nc2ccccc2cc1/C=C/c1noc(-c2ccccc2)n1
InChIInChI=1S/C20H15N3O2/c1-24-19-16(13-15-9-5-6-10-17(15)21-19)11-12-18-22-20(25-23-18)14-7-3-2-4-8-14/h2-13H,1H3/b12-11+
InChIKeyBFXKHFPKEMSWBM-VAWYXSNFSA-N
XLogP4.46
TPSA61.04 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.36
LogP ≤ 54.46
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-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-phenyl-1,2,4-oxadiazole (CID 127042150) is 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-phenyl-1,2,4-oxadiazole is COc1nc2ccccc2cc1/C=C/c1noc(-c2ccccc2)n1.
What is the InChIKey of 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-phenyl-1,2,4-oxadiazole?
The InChIKey is BFXKHFPKEMSWBM-VAWYXSNFSA-N. The full InChI is InChI=1S/C20H15N3O2/c1-24-19-16(13-15-9-5-6-10-17(15)21-19)11-12-18-22-20(25-23-18)14-7-3-2-4-8-14/h2-13H,1H3/b12-11+.
What are the key properties of 3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-phenyl-1,2,4-oxadiazole?
3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-5-phenyl-1,2,4-oxadiazole has a molecular weight of 329.36 g/mol, XLogP of 4.46, 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-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 127042150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).