5-[(2-methoxyphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

C17H16N2O3 — CID 893340

IUPAC5-[(2-methoxyphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1OCc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C17H16N2O3/c1-12-6-5-7-13(10-12)17-18-16(22-19-17)11-21-15-9-4-3-8-14(15)20-2/h3-10H,11H2,1-2H3
InChIKeyZSICIGWNGVKCHH-UHFFFAOYSA-N
MW296.33 g/mol
LogP3.63
Rot. Bonds5

About 5-[(2-methoxyphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole

5-[(2-methoxyphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 893340) has the molecular formula C17H16N2O3 and a molecular weight of 296.33 g/mol. Its IUPAC name is 5-[(2-methoxyphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(2-methoxyphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID893340
Molecular FormulaC17H16N2O3
Molecular Weight296.33 g/mol
Exact Mass296.12
IUPAC Name5-[(2-methoxyphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccccc1OCc1nc(-c2cccc(C)c2)no1
InChIInChI=1S/C17H16N2O3/c1-12-6-5-7-13(10-12)17-18-16(22-19-17)11-21-15-9-4-3-8-14(15)20-2/h3-10H,11H2,1-2H3
InChIKeyZSICIGWNGVKCHH-UHFFFAOYSA-N
XLogP3.63
TPSA57.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.33
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-methoxyphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(2-methoxyphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 893340) is 5-[(2-methoxyphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(2-methoxyphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(2-methoxyphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is COc1ccccc1OCc1nc(-c2cccc(C)c2)no1.
What is the InChIKey of 5-[(2-methoxyphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is ZSICIGWNGVKCHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O3/c1-12-6-5-7-13(10-12)17-18-16(22-19-17)11-21-15-9-4-3-8-14(15)20-2/h3-10H,11H2,1-2H3.
What are the key properties of 5-[(2-methoxyphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-[(2-methoxyphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 296.33 g/mol, XLogP of 3.63, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-methoxyphenoxy)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 893340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).