1-Phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea

Base Information

• Chemical Name: 1-Phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea
• CAS No.: 6694-33-3
• Molecular Formula: C15H12N4O2
• Molecular Weight: 280.286
• DSSTox Substance ID: DTXSID00366653
• Wikidata: Q82151978
• Pharos Ligand ID: AA25T8K5TULT
• ChEMBL ID: CHEMBL1322701

Synonyms:CHEMBL1322701;1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea;6694-33-3;MLS000536145;DTXSID00366653;HMS2379O22;BDBM50504253;AKOS034356505;NCGC00281873-01;SMR000155457;AB00491392-09

Chemical Property of 1-Phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea

Chemical Property:

• XLogP3: 2.3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 280.09602564
• Heavy Atom Count: 21
• Complexity: 341

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)NC3=CC=CC=C3

Technology Process of 1-Phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea

There total 3 articles about 1-Phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 74.0%

phenyl isocyanate (103-71-9) + 2-amino-5-phenyl-1,3,4-oxadiazole (1612-76-6) → 1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea (6694-33-3)

Guidance literature:

With triethylamine; In ethanol; for 10h; Reflux;

DOI:10.1016/j.ejmech.2019.111693

Reference yield:

2-amino-5-phenyl-1,3,4-oxadiazole (1612-76-6) → 1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea (6694-33-3)

Guidance literature:

Multi-step reaction with 2 steps

1: benzene

2: (i) o-dichlorobenzene, (ii) /BRN= 605631/

In benzene;

Reference yield:

2-phenylimidazo[2,1-b][1,3,4]oxadiazol-5,6-dione (25306-18-7) + aniline (62-53-3) → 1-phenyl-3-(5-phenyl-1,3,4-oxadiazol-2-yl)urea (6694-33-3)

Guidance literature:

Multistep reaction; (i) o-dichlorobenzene, (ii) /BRN= 605631/;

upstream raw materials:

2-phenylimidazo[2,1-b][1,3,4]oxadiazol-5,6-dione

aniline

phenyl isocyanate

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

Downstream raw materials:

1-methyl-3-phenyl-1-(5-phenyl-[1,3,4]oxadiazol-2-yl)-urea

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