2-phenyl-2,5-dihydro-1,3,4-oxadiazole

C8H8N2O — CID 154572909

IUPAC2-phenyl-2,5-dihydro-1,3,4-oxadiazole
SMILESc1ccc(C2N=NCO2)cc1
InChIInChI=1S/C8H8N2O/c1-2-4-7(5-3-1)8-10-9-6-11-8/h1-5,8H,6H2
InChIKeyVGBYNFSLKDSVME-UHFFFAOYSA-N
MW148.16 g/mol
LogP2.13
Rot. Bonds1

About 2-phenyl-2,5-dihydro-1,3,4-oxadiazole

2-phenyl-2,5-dihydro-1,3,4-oxadiazole (PubChem CID 154572909) has the molecular formula C8H8N2O and a molecular weight of 148.16 g/mol. Its IUPAC name is 2-phenyl-2,5-dihydro-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-phenyl-2,5-dihydro-1,3,4-oxadiazole
PubChem CID154572909
Molecular FormulaC8H8N2O
Molecular Weight148.16 g/mol
Exact Mass148.06
IUPAC Name2-phenyl-2,5-dihydro-1,3,4-oxadiazole
SMILESc1ccc(C2N=NCO2)cc1
InChIInChI=1S/C8H8N2O/c1-2-4-7(5-3-1)8-10-9-6-11-8/h1-5,8H,6H2
InChIKeyVGBYNFSLKDSVME-UHFFFAOYSA-N
XLogP2.13
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.16
LogP ≤ 52.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-2,5-dihydro-1,3,4-oxadiazole?
The IUPAC name of 2-phenyl-2,5-dihydro-1,3,4-oxadiazole (CID 154572909) is 2-phenyl-2,5-dihydro-1,3,4-oxadiazole.
What is the SMILES notation for 2-phenyl-2,5-dihydro-1,3,4-oxadiazole?
The canonical SMILES for 2-phenyl-2,5-dihydro-1,3,4-oxadiazole is c1ccc(C2N=NCO2)cc1.
What is the InChIKey of 2-phenyl-2,5-dihydro-1,3,4-oxadiazole?
The InChIKey is VGBYNFSLKDSVME-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H8N2O/c1-2-4-7(5-3-1)8-10-9-6-11-8/h1-5,8H,6H2.
What are the key properties of 2-phenyl-2,5-dihydro-1,3,4-oxadiazole?
2-phenyl-2,5-dihydro-1,3,4-oxadiazole has a molecular weight of 148.16 g/mol, XLogP of 2.13, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-2,5-dihydro-1,3,4-oxadiazole is sourced from PubChem (CID 154572909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).