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

C17H16N2O2 — CID 817371

IUPAC3-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2noc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H16N2O2/c1-12-3-7-14(8-4-12)17-18-16(19-21-17)11-13-5-9-15(20-2)10-6-13/h3-10H,11H2,1-2H3
InChIKeyIWUZJIWYUISZLQ-UHFFFAOYSA-N
MW280.33 g/mol
LogP3.64
Rot. Bonds4

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

3-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 817371) has the molecular formula C17H16N2O2 and a molecular weight of 280.33 g/mol. Its IUPAC name is 3-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID817371
Molecular FormulaC17H16N2O2
Molecular Weight280.33 g/mol
Exact Mass280.12
IUPAC Name3-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(Cc2noc(-c3ccc(C)cc3)n2)cc1
InChIInChI=1S/C17H16N2O2/c1-12-3-7-14(8-4-12)17-18-16(19-21-17)11-13-5-9-15(20-2)10-6-13/h3-10H,11H2,1-2H3
InChIKeyIWUZJIWYUISZLQ-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 3-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 3-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole (CID 817371) is 3-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole is COc1ccc(Cc2noc(-c3ccc(C)cc3)n2)cc1.
What is the InChIKey of 3-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is IWUZJIWYUISZLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2/c1-12-3-7-14(8-4-12)17-18-16(19-21-17)11-13-5-9-15(20-2)10-6-13/h3-10H,11H2,1-2H3.
What are the key properties of 3-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole?
3-[(4-methoxyphenyl)methyl]-5-(4-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 3-[(4-methoxyphenyl)methyl]-5-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 817371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).