5-(2,2-diphenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole

C21H17N3O — CID 2935184

IUPAC5-(2,2-diphenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(C(Cc2nc(-c3ccccn3)no2)c2ccccc2)cc1
InChIInChI=1S/C21H17N3O/c1-3-9-16(10-4-1)18(17-11-5-2-6-12-17)15-20-23-21(24-25-20)19-13-7-8-14-22-19/h1-14,18H,15H2
InChIKeyWACXPWUMJWKXLJ-UHFFFAOYSA-N
MW327.39 g/mol
LogP4.51
Rot. Bonds5

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

5-(2,2-diphenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole (PubChem CID 2935184) has the molecular formula C21H17N3O and a molecular weight of 327.39 g/mol. Its IUPAC name is 5-(2,2-diphenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,2-diphenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
PubChem CID2935184
Molecular FormulaC21H17N3O
Molecular Weight327.39 g/mol
Exact Mass327.14
IUPAC Name5-(2,2-diphenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole
SMILESc1ccc(C(Cc2nc(-c3ccccn3)no2)c2ccccc2)cc1
InChIInChI=1S/C21H17N3O/c1-3-9-16(10-4-1)18(17-11-5-2-6-12-17)15-20-23-21(24-25-20)19-13-7-8-14-22-19/h1-14,18H,15H2
InChIKeyWACXPWUMJWKXLJ-UHFFFAOYSA-N
XLogP4.51
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 54.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,2-diphenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,2-diphenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole (CID 2935184) is 5-(2,2-diphenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,2-diphenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,2-diphenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole is c1ccc(C(Cc2nc(-c3ccccn3)no2)c2ccccc2)cc1.
What is the InChIKey of 5-(2,2-diphenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
The InChIKey is WACXPWUMJWKXLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O/c1-3-9-16(10-4-1)18(17-11-5-2-6-12-17)15-20-23-21(24-25-20)19-13-7-8-14-22-19/h1-14,18H,15H2.
What are the key properties of 5-(2,2-diphenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole?
5-(2,2-diphenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole has a molecular weight of 327.39 g/mol, XLogP of 4.51, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2-diphenylethyl)-3-pyridin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 2935184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).