5-(2,2-diphenylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole

C23H20N2O — CID 887468

IUPAC5-(2,2-diphenylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CC(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C23H20N2O/c1-17-12-14-20(15-13-17)23-24-22(26-25-23)16-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3
InChIKeyAOATUHUBVHXTKN-UHFFFAOYSA-N
MW340.43 g/mol
LogP5.42
Rot. Bonds5

About 5-(2,2-diphenylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole

5-(2,2-diphenylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 887468) has the molecular formula C23H20N2O and a molecular weight of 340.43 g/mol. Its IUPAC name is 5-(2,2-diphenylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,2-diphenylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID887468
Molecular FormulaC23H20N2O
Molecular Weight340.43 g/mol
Exact Mass340.16
IUPAC Name5-(2,2-diphenylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc(CC(c3ccccc3)c3ccccc3)n2)cc1
InChIInChI=1S/C23H20N2O/c1-17-12-14-20(15-13-17)23-24-22(26-25-23)16-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3
InChIKeyAOATUHUBVHXTKN-UHFFFAOYSA-N
XLogP5.42
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.43
LogP ≤ 55.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-diphenylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(2,2-diphenylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 887468) is 5-(2,2-diphenylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,2-diphenylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,2-diphenylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc(CC(c3ccccc3)c3ccccc3)n2)cc1.
What is the InChIKey of 5-(2,2-diphenylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is AOATUHUBVHXTKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N2O/c1-17-12-14-20(15-13-17)23-24-22(26-25-23)16-21(18-8-4-2-5-9-18)19-10-6-3-7-11-19/h2-15,21H,16H2,1H3.
What are the key properties of 5-(2,2-diphenylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-(2,2-diphenylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 340.43 g/mol, XLogP of 5.42, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-diphenylethyl)-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 887468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).