2,5-dibenzyl-1,3,4-oxadiazole

C16H14N2O — CID 13479531

IUPAC2,5-dibenzyl-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(Cc3ccccc3)o2)cc1
InChIInChI=1S/C16H14N2O/c1-3-7-13(8-4-1)11-15-17-18-16(19-15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyDXXKXWZGEUKMKM-UHFFFAOYSA-N
MW250.30 g/mol
LogP3.25
Rot. Bonds4

About 2,5-dibenzyl-1,3,4-oxadiazole

2,5-dibenzyl-1,3,4-oxadiazole (PubChem CID 13479531) has the molecular formula C16H14N2O and a molecular weight of 250.30 g/mol. Its IUPAC name is 2,5-dibenzyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-dibenzyl-1,3,4-oxadiazole
PubChem CID13479531
Molecular FormulaC16H14N2O
Molecular Weight250.30 g/mol
Exact Mass250.11
IUPAC Name2,5-dibenzyl-1,3,4-oxadiazole
SMILESc1ccc(Cc2nnc(Cc3ccccc3)o2)cc1
InChIInChI=1S/C16H14N2O/c1-3-7-13(8-4-1)11-15-17-18-16(19-15)12-14-9-5-2-6-10-14/h1-10H,11-12H2
InChIKeyDXXKXWZGEUKMKM-UHFFFAOYSA-N
XLogP3.25
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.30
LogP ≤ 53.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dibenzyl-1,3,4-oxadiazole?
The IUPAC name of 2,5-dibenzyl-1,3,4-oxadiazole (CID 13479531) is 2,5-dibenzyl-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-dibenzyl-1,3,4-oxadiazole?
The canonical SMILES for 2,5-dibenzyl-1,3,4-oxadiazole is c1ccc(Cc2nnc(Cc3ccccc3)o2)cc1.
What is the InChIKey of 2,5-dibenzyl-1,3,4-oxadiazole?
The InChIKey is DXXKXWZGEUKMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O/c1-3-7-13(8-4-1)11-15-17-18-16(19-15)12-14-9-5-2-6-10-14/h1-10H,11-12H2.
What are the key properties of 2,5-dibenzyl-1,3,4-oxadiazole?
2,5-dibenzyl-1,3,4-oxadiazole has a molecular weight of 250.30 g/mol, XLogP of 3.25, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dibenzyl-1,3,4-oxadiazole is sourced from PubChem (CID 13479531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).