1,2,4-Oxadiazole, 3-phenyl-5-ureido-

Base Information

• Chemical Name: 1,2,4-Oxadiazole, 3-phenyl-5-ureido-
• CAS No.: 5421-95-4
• Molecular Formula: C9H8N4O2
• Molecular Weight: 204.188
• Hs Code.: 2934999090
• European Community (EC) Number: 637-258-4
• NSC Number: 8177
• UNII: FO6QB539UL
• DSSTox Substance ID: DTXSID80202560
• Nikkaji Number: J42.572I
• Wikidata: Q83075860
• Mol file: 5421-95-4.mol

Synonyms:5421-95-4;(3-phenyl-1,2,4-oxadiazol-5-yl)urea;1,2,4-OXADIAZOLE, 3-PHENYL-5-UREIDO-;Urea, (3-phenyl-1,2,4-oxadiazol-5-yl)-;NSC 8177;3-Phenyl-5-ureido-1,2,4-oxadiazole;BRN 0199954;FO6QB539UL;1-(3-Phenyl-1,2,4-oxadiazol-5-yl)urea;NSC-8177;N-(3-Phenyl-1,2,4-oxadiazol-5-yl)urea;4-27-00-08102 (Beilstein Handbook Reference);C9H8N4O2;NSC8177;UNII-FO6QB539UL;Urea,2,4-oxadiazol-5-yl)-;WLN: T5NO DNJ CMVZ ER;SCHEMBL14028304;DTXSID80202560;3-Phenyl-5-ureido-1,4-oxadiazole;AKOS024332304;1,4-Oxadiazole, 3-phenyl-5-ureido-;LS-99171;UREA, N-(3-PHENYL-1,2,4-OXADIAZOL-5-YL)-

Chemical Property of 1,2,4-Oxadiazole, 3-phenyl-5-ureido-

Chemical Property:

• Boiling Point: °Cat760mmHg
• Flash Point: °C
• PSA: 94.04000
• Density: 1.415g/cm³
• LogP: 2.00050
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 204.06472551
• Heavy Atom Count: 15
• Complexity: 230

Purity/Quality:

97% ^*data from raw suppliers

3-PHENYL-5-UREIDO-1,2,4-OXADIAZOLE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NOC(=N2)NC(=O)N

Technology Process of 1,2,4-Oxadiazole, 3-phenyl-5-ureido-

There total 3 articles about 1,2,4-Oxadiazole, 3-phenyl-5-ureido- 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:

N1-benzoyl-N3-cyanoguanidine (7746-72-7) → (5-phenyl-[1,2,4]oxadiazol-3-yl)-urea (7747-00-4) + (3-phenyl-[1,2,4]oxadiazol-5-yl)-urea (5421-95-4)

Guidance literature:

With hydrogenchloride; hydroxylamine;

DOI:10.1039/j39660001522 DOI:10.1021/jo50014a006

Reference yield:

N1-benzoyl-N3-cyanoguanidine (7746-72-7) → (5-phenyl-[1,2,4]oxadiazol-3-yl)-urea (7747-00-4) + (3-phenyl-[1,2,4]oxadiazol-5-yl)-urea (5421-95-4)

Guidance literature:

DOI:10.1039/j39660001522 DOI:10.1021/jo50008a016

Reference yield:

→ (3-phenyl-[1,2,4]oxadiazol-5-yl)-urea (5421-95-4)

Guidance literature:

3-Phenyl-1,2,4-oxadiazol-carbonsaeure-(5)-azid, 1. wfr. Toluol, Erwaermen; 2. wfr. NH3;

upstream raw materials:

N¹-benzoyl-N³-cyanoguanidine

Downstream raw materials:

3-phenyl-4H-[1,2,4]oxadiazol-5-one