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

C14H10N2O — CID 12888

IUPAC2,5-diphenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C14H10N2O/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10H
InChIKeyDCJKUXYSYJBBRD-UHFFFAOYSA-N
MW222.25 g/mol
LogP3.40
Rot. Bonds2

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

2,5-diphenyl-1,3,4-oxadiazole (PubChem CID 12888) has the molecular formula C14H10N2O and a molecular weight of 222.25 g/mol. Its IUPAC name is 2,5-diphenyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2,5-diphenyl-1,3,4-oxadiazole
PubChem CID12888
Molecular FormulaC14H10N2O
Molecular Weight222.25 g/mol
Exact Mass222.08
IUPAC Name2,5-diphenyl-1,3,4-oxadiazole
SMILESc1ccc(-c2nnc(-c3ccccc3)o2)cc1
InChIInChI=1S/C14H10N2O/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10H
InChIKeyDCJKUXYSYJBBRD-UHFFFAOYSA-N
XLogP3.40
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.25
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-diphenyl-1,3,4-oxadiazole?
The IUPAC name of 2,5-diphenyl-1,3,4-oxadiazole (CID 12888) is 2,5-diphenyl-1,3,4-oxadiazole.
What is the SMILES notation for 2,5-diphenyl-1,3,4-oxadiazole?
The canonical SMILES for 2,5-diphenyl-1,3,4-oxadiazole is c1ccc(-c2nnc(-c3ccccc3)o2)cc1.
What is the InChIKey of 2,5-diphenyl-1,3,4-oxadiazole?
The InChIKey is DCJKUXYSYJBBRD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N2O/c1-3-7-11(8-4-1)13-15-16-14(17-13)12-9-5-2-6-10-12/h1-10H.
What are the key properties of 2,5-diphenyl-1,3,4-oxadiazole?
2,5-diphenyl-1,3,4-oxadiazole has a molecular weight of 222.25 g/mol, XLogP of 3.40, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diphenyl-1,3,4-oxadiazole is sourced from PubChem (CID 12888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).