3,5-diphenyl-2H-1,3,4-oxadiazole

C14H12N2O — CID 22506422

IUPAC3,5-diphenyl-2H-1,3,4-oxadiazole
SMILESc1ccc(C2=NN(c3ccccc3)CO2)cc1
InChIInChI=1S/C14H12N2O/c1-3-7-12(8-4-1)14-15-16(11-17-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyHNEGIYHLLYVDRA-UHFFFAOYSA-N
MW224.26 g/mol
LogP2.84
Rot. Bonds2

About 3,5-diphenyl-2H-1,3,4-oxadiazole

3,5-diphenyl-2H-1,3,4-oxadiazole (PubChem CID 22506422) has the molecular formula C14H12N2O and a molecular weight of 224.26 g/mol. Its IUPAC name is 3,5-diphenyl-2H-1,3,4-oxadiazole.

Molecular Properties

Compound Name3,5-diphenyl-2H-1,3,4-oxadiazole
PubChem CID22506422
Molecular FormulaC14H12N2O
Molecular Weight224.26 g/mol
Exact Mass224.09
IUPAC Name3,5-diphenyl-2H-1,3,4-oxadiazole
SMILESc1ccc(C2=NN(c3ccccc3)CO2)cc1
InChIInChI=1S/C14H12N2O/c1-3-7-12(8-4-1)14-15-16(11-17-14)13-9-5-2-6-10-13/h1-10H,11H2
InChIKeyHNEGIYHLLYVDRA-UHFFFAOYSA-N
XLogP2.84
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 52.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3,5-diphenyl-2H-1,3,4-oxadiazole?
The IUPAC name of 3,5-diphenyl-2H-1,3,4-oxadiazole (CID 22506422) is 3,5-diphenyl-2H-1,3,4-oxadiazole.
What is the SMILES notation for 3,5-diphenyl-2H-1,3,4-oxadiazole?
The canonical SMILES for 3,5-diphenyl-2H-1,3,4-oxadiazole is c1ccc(C2=NN(c3ccccc3)CO2)cc1.
What is the InChIKey of 3,5-diphenyl-2H-1,3,4-oxadiazole?
The InChIKey is HNEGIYHLLYVDRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N2O/c1-3-7-12(8-4-1)14-15-16(11-17-14)13-9-5-2-6-10-13/h1-10H,11H2.
What are the key properties of 3,5-diphenyl-2H-1,3,4-oxadiazole?
3,5-diphenyl-2H-1,3,4-oxadiazole has a molecular weight of 224.26 g/mol, XLogP of 2.84, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-diphenyl-2H-1,3,4-oxadiazole is sourced from PubChem (CID 22506422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).