2-benzyl-5-(2-phenylethyl)-1,3,4-oxadiazole

C17H16N2O — CID 35265209

IUPAC2-benzyl-5-(2-phenylethyl)-1,3,4-oxadiazole
SMILESc1ccc(CCc2nnc(Cc3ccccc3)o2)cc1
InChIInChI=1S/C17H16N2O/c1-3-7-14(8-4-1)11-12-16-18-19-17(20-16)13-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyQETWPAZFKKPJDM-UHFFFAOYSA-N
MW264.33 g/mol
LogP3.45
Rot. Bonds5

About 2-benzyl-5-(2-phenylethyl)-1,3,4-oxadiazole

2-benzyl-5-(2-phenylethyl)-1,3,4-oxadiazole (PubChem CID 35265209) has the molecular formula C17H16N2O and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-benzyl-5-(2-phenylethyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-benzyl-5-(2-phenylethyl)-1,3,4-oxadiazole
PubChem CID35265209
Molecular FormulaC17H16N2O
Molecular Weight264.33 g/mol
Exact Mass264.13
IUPAC Name2-benzyl-5-(2-phenylethyl)-1,3,4-oxadiazole
SMILESc1ccc(CCc2nnc(Cc3ccccc3)o2)cc1
InChIInChI=1S/C17H16N2O/c1-3-7-14(8-4-1)11-12-16-18-19-17(20-16)13-15-9-5-2-6-10-15/h1-10H,11-13H2
InChIKeyQETWPAZFKKPJDM-UHFFFAOYSA-N
XLogP3.45
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-5-(2-phenylethyl)-1,3,4-oxadiazole?
The IUPAC name of 2-benzyl-5-(2-phenylethyl)-1,3,4-oxadiazole (CID 35265209) is 2-benzyl-5-(2-phenylethyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-benzyl-5-(2-phenylethyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-benzyl-5-(2-phenylethyl)-1,3,4-oxadiazole is c1ccc(CCc2nnc(Cc3ccccc3)o2)cc1.
What is the InChIKey of 2-benzyl-5-(2-phenylethyl)-1,3,4-oxadiazole?
The InChIKey is QETWPAZFKKPJDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O/c1-3-7-14(8-4-1)11-12-16-18-19-17(20-16)13-15-9-5-2-6-10-15/h1-10H,11-13H2.
What are the key properties of 2-benzyl-5-(2-phenylethyl)-1,3,4-oxadiazole?
2-benzyl-5-(2-phenylethyl)-1,3,4-oxadiazole has a molecular weight of 264.33 g/mol, XLogP of 3.45, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-5-(2-phenylethyl)-1,3,4-oxadiazole is sourced from PubChem (CID 35265209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).