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

C16H15N3O3 — CID 127038937

IUPAC5-(methoxymethyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole
SMILESCOCc1nc(/C=C/c2cc3ccccc3nc2OC)no1
InChIInChI=1S/C16H15N3O3/c1-20-10-15-18-14(19-22-15)8-7-12-9-11-5-3-4-6-13(11)17-16(12)21-2/h3-9H,10H2,1-2H3/b8-7+
InChIKeyFSZIHTZXPACRJI-BQYQJAHWSA-N
MW297.31 g/mol
LogP2.94
Rot. Bonds5

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

5-(methoxymethyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole (PubChem CID 127038937) has the molecular formula C16H15N3O3 and a molecular weight of 297.31 g/mol. Its IUPAC name is 5-(methoxymethyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(methoxymethyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole
PubChem CID127038937
Molecular FormulaC16H15N3O3
Molecular Weight297.31 g/mol
Exact Mass297.11
IUPAC Name5-(methoxymethyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole
SMILESCOCc1nc(/C=C/c2cc3ccccc3nc2OC)no1
InChIInChI=1S/C16H15N3O3/c1-20-10-15-18-14(19-22-15)8-7-12-9-11-5-3-4-6-13(11)17-16(12)21-2/h3-9H,10H2,1-2H3/b8-7+
InChIKeyFSZIHTZXPACRJI-BQYQJAHWSA-N
XLogP2.94
TPSA70.27 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.31
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(methoxymethyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-(methoxymethyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole (CID 127038937) is 5-(methoxymethyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-(methoxymethyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-(methoxymethyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole is COCc1nc(/C=C/c2cc3ccccc3nc2OC)no1.
What is the InChIKey of 5-(methoxymethyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole?
The InChIKey is FSZIHTZXPACRJI-BQYQJAHWSA-N. The full InChI is InChI=1S/C16H15N3O3/c1-20-10-15-18-14(19-22-15)8-7-12-9-11-5-3-4-6-13(11)17-16(12)21-2/h3-9H,10H2,1-2H3/b8-7+.
What are the key properties of 5-(methoxymethyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole?
5-(methoxymethyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole has a molecular weight of 297.31 g/mol, XLogP of 2.94, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(methoxymethyl)-3-[(E)-2-(2-methoxyquinolin-3-yl)ethenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 127038937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).