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

C17H16N2O2 — CID 705839

IUPAC5-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2nc(-c3cccc(C)c3)no2)cc1
InChIInChI=1S/C17H16N2O2/c1-12-4-3-5-14(10-12)17-18-16(21-19-17)11-13-6-8-15(20-2)9-7-13/h3-10H,11H2,1-2H3
InChIKeyUKOQIWHQBGYWGO-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.64
Rot. Bonds4

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

5-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (PubChem CID 705839) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 5-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
PubChem CID705839
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name5-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2nc(-c3cccc(C)c3)no2)cc1
InChIInChI=1S/C17H16N2O2/c1-12-4-3-5-14(10-12)17-18-16(21-19-17)11-13-6-8-15(20-2)9-7-13/h3-10H,11H2,1-2H3
InChIKeyUKOQIWHQBGYWGO-UHFFFAOYSA-N
XLogP3.64
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.33
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole (CID 705839) is 5-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is COc1ccc(Cc2nc(-c3cccc(C)c3)no2)cc1.
What is the InChIKey of 5-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is UKOQIWHQBGYWGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-4-3-5-14(10-12)17-18-16(21-19-17)11-13-6-8-15(20-2)9-7-13/h3-10H,11H2,1-2H3.
What are the key properties of 5-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole?
5-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 280.33 g/mol, XLogP of 3.64, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-methoxyphenyl)methyl]-3-(3-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 705839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).