5-phenyl-2,5-dihydro-1,2,4-oxadiazole

C8H8N2O — CID 70149865

IUPAC5-phenyl-2,5-dihydro-1,2,4-oxadiazole
SMILESC1=NC(c2ccccc2)ON1
InChIInChI=1S/C8H8N2O/c1-2-4-7(5-3-1)8-9-6-10-11-8/h1-6,8H,(H,9,10)
InChIKeyJPSKIVXPJPRREK-UHFFFAOYSA-N
MW148.16 g/mol
LogP1.25
Rot. Bonds1

About 5-phenyl-2,5-dihydro-1,2,4-oxadiazole

5-phenyl-2,5-dihydro-1,2,4-oxadiazole (PubChem CID 70149865) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 5-phenyl-2,5-dihydro-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-phenyl-2,5-dihydro-1,2,4-oxadiazole
PubChem CID70149865
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name5-phenyl-2,5-dihydro-1,2,4-oxadiazole
SMILESC1=NC(c2ccccc2)ON1
InChIInChI=1S/C8H8N2O/c1-2-4-7(5-3-1)8-9-6-10-11-8/h1-6,8H,(H,9,10)
InChIKeyJPSKIVXPJPRREK-UHFFFAOYSA-N
XLogP1.25
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 51.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2,5-dihydro-1,2,4-oxadiazole?
The IUPAC name of 5-phenyl-2,5-dihydro-1,2,4-oxadiazole (CID 70149865) is 5-phenyl-2,5-dihydro-1,2,4-oxadiazole.
What is the SMILES notation for 5-phenyl-2,5-dihydro-1,2,4-oxadiazole?
The canonical SMILES for 5-phenyl-2,5-dihydro-1,2,4-oxadiazole is C1=NC(c2ccccc2)ON1.
What is the InChIKey of 5-phenyl-2,5-dihydro-1,2,4-oxadiazole?
The InChIKey is JPSKIVXPJPRREK-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-2-4-7(5-3-1)8-9-6-10-11-8/h1-6,8H,(H,9,10).
What are the key properties of 5-phenyl-2,5-dihydro-1,2,4-oxadiazole?
5-phenyl-2,5-dihydro-1,2,4-oxadiazole has a molecular weight of 148.16 g/mol, XLogP of 1.25, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2,5-dihydro-1,2,4-oxadiazole is sourced from PubChem (CID 70149865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).