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

C20H16N2O — CID 10990238

IUPAC3,4,5-triphenyl-5H-1,2,4-oxadiazole
SMILESc1ccc(C2=NOC(c3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C20H16N2O/c1-4-10-16(11-5-1)19-21-23-20(17-12-6-2-7-13-17)22(19)18-14-8-3-9-15-18/h1-15,20H
InChIKeyIGPUUEMPTWVWQL-UHFFFAOYSA-N
MW300.36 g/mol
LogP4.58
Rot. Bonds3

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

3,4,5-triphenyl-5H-1,2,4-oxadiazole (PubChem CID 10990238) has the molecular formula C20H16N2O and a molecular weight of 300.36 g/mol. Its IUPAC name is 3,4,5-triphenyl-5H-1,2,4-oxadiazole.

Molecular Properties

Compound Name3,4,5-triphenyl-5H-1,2,4-oxadiazole
PubChem CID10990238
Molecular FormulaC20H16N2O
Molecular Weight300.36 g/mol
Exact Mass300.13
IUPAC Name3,4,5-triphenyl-5H-1,2,4-oxadiazole
SMILESc1ccc(C2=NOC(c3ccccc3)N2c2ccccc2)cc1
InChIInChI=1S/C20H16N2O/c1-4-10-16(11-5-1)19-21-23-20(17-12-6-2-7-13-17)22(19)18-14-8-3-9-15-18/h1-15,20H
InChIKeyIGPUUEMPTWVWQL-UHFFFAOYSA-N
XLogP4.58
TPSA24.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.36
LogP ≤ 54.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-(4-Chlorophenyl)-5-(4-flurophenyl)-4-phenyl-4,5-dihydro-1,2,4-oxadiazole
CID 71816440
4-(1-Adamantyl)-3-phenyl-5-[4-(dimethylamino)phenyl]-4,5-dihydro-1,2,4-oxadiazole
CID 378753
3-(4-Chlorophenyl)-4,5-diphenyl-4,5-dihydro-1,2,4-oxadiazole
CID 12674730
(3,5-Bis(4-chlorophenyl)-4-phenyl-4,5-dihydro-1,2,4-oxadiazole)
CID 71816441
3,4-bis(4-chlorophenyl)-5-phenyl-5H-1,2,4-oxadiazole
CID 145721597
3,4-bis(4-fluorophenyl)-5-phenyl-5H-1,2,4-oxadiazole
CID 172451028
N,N-dimethyl-4-(3-phenyl-2,5-dihydro-1,2,4-oxadiazol-5-yl)aniline
CID 3282120
3-(4-Chlorophenyl)-4-(4-fluorophenyl)-5-phenyl-4,5-dihydro-1,2,4-oxadiazole
CID 145721583
4-(4-Chlorophenyl)-3-(4-fluorophenyl)-5-(p-tolyl)-4,5-dihydro-1,2,4-oxadiazole
CID 145721603
3-(4-Chlorophenyl)-4-(4-fluorophenyl)-5-(p-tolyl)-4,5-dihydro-1,2,4-oxadiazole
CID 145721604
4-benzyl-3,5-diphenyl-5H-1,2,4-oxadiazole
CID 12674725
3,4,5-tris(4-chlorophenyl)-5H-1,2,4-oxadiazole
CID 76320492

Frequently Asked Questions

What is the IUPAC name of 3,4,5-triphenyl-5H-1,2,4-oxadiazole?
The IUPAC name of 3,4,5-triphenyl-5H-1,2,4-oxadiazole (CID 10990238) is 3,4,5-triphenyl-5H-1,2,4-oxadiazole.
What is the SMILES notation for 3,4,5-triphenyl-5H-1,2,4-oxadiazole?
The canonical SMILES for 3,4,5-triphenyl-5H-1,2,4-oxadiazole is c1ccc(C2=NOC(c3ccccc3)N2c2ccccc2)cc1.
What is the InChIKey of 3,4,5-triphenyl-5H-1,2,4-oxadiazole?
The InChIKey is IGPUUEMPTWVWQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O/c1-4-10-16(11-5-1)19-21-23-20(17-12-6-2-7-13-17)22(19)18-14-8-3-9-15-18/h1-15,20H.
What are the key properties of 3,4,5-triphenyl-5H-1,2,4-oxadiazole?
3,4,5-triphenyl-5H-1,2,4-oxadiazole has a molecular weight of 300.36 g/mol, XLogP of 4.58, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-triphenyl-5H-1,2,4-oxadiazole is sourced from PubChem (CID 10990238), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).