1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone

C16H14N2O2 — CID 10890805

IUPAC1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C16H14N2O2/c1-12(19)18-16(14-10-6-3-7-11-14)20-15(17-18)13-8-4-2-5-9-13/h2-11,16H,1H3
InChIKeyXOQIXXVBMACXEU-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.93
Rot. Bonds2

About 1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone

1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone (PubChem CID 10890805) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone.

Molecular Properties

Compound Name1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone
PubChem CID10890805
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone
SMILESCC(=O)N1N=C(c2ccccc2)OC1c1ccccc1
InChIInChI=1S/C16H14N2O2/c1-12(19)18-16(14-10-6-3-7-11-14)20-15(17-18)13-8-4-2-5-9-13/h2-11,16H,1H3
InChIKeyXOQIXXVBMACXEU-UHFFFAOYSA-N
XLogP2.93
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The IUPAC name of 1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone (CID 10890805) is 1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone.
What is the SMILES notation for 1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The canonical SMILES for 1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone is CC(=O)N1N=C(c2ccccc2)OC1c1ccccc1.
What is the InChIKey of 1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone?
The InChIKey is XOQIXXVBMACXEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/c1-12(19)18-16(14-10-6-3-7-11-14)20-15(17-18)13-8-4-2-5-9-13/h2-11,16H,1H3.
What are the key properties of 1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone?
1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone has a molecular weight of 266.30 g/mol, XLogP of 2.93, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-diphenyl-2H-1,3,4-oxadiazol-3-yl)ethanone is sourced from PubChem (CID 10890805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).