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76629-35-1,MFCD09971311
Catalog No.:AA005WP4

76629-35-1 | 3-(3-METHYL-1,2,4-OXADIAZOL-5-YL)ANILINE

Pack Size
Purity
Availability
Price(USD)
Quantity
  
1g
95%
in stock  
$524.00   $367.00
- +
5g
95%
in stock  
$2,096.00   $1,467.00
- +
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
  • Technical Information
  • Properties
  • Downstream Synthesis Route
  • Literature
Technical Information
Catalog Number:
AA005WP4
Chemical Name:
3-(3-METHYL-1,2,4-OXADIAZOL-5-YL)ANILINE
CAS Number:
76629-35-1
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD09971311
SMILES:
Nc1cccc(c1)c1onc(n1)C
Properties
Properties
 
Storage:
2-8℃;Keep in dry area;  

Computed Properties
 
Complexity:
176  
Covalently-Bonded Unit Count:
1  
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Rotatable Bond Count:
1  
XLogP3:
1.5  

Downstream Synthesis Route

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2020/168148,2020,A1Locationinpatent:Page/Pagecolumn86;89

[2]CurrentPatentAssignee:BIOCONLIMITED;BRISTOL-MYERSSQUIBBCO-WO2020/168143,2020,A1Locationinpatent:Page/Pagecolumn166;167

[3]Xin,Zhili;Zhao,Hongyu;Serby,MichaelD.;Liu,Bo;Liu,Mei;Szczepankiewicz,BruceG.;Nelson,LissaT.J.;Smith,HarrietT.;Suhar,TomS.;Janis,RichS.;Cao,Ning;Camp,HeidiS.;Collins,ChristineA.;Sham,HingL.;Surowy,TeresaK.;Liu,Gang[BioorganicandMedicinalChemistryLetters,2008,vol.18,#15,p.4298-4302]

[4]Lin,Yang-i;Lang,S.A.[JournalofHeterocyclicChemistry,1980,vol.17,p.1273-1276]

76629-35-1    7693-46-1   
3-3-methyl(1,2,4-oxadiazol-5-yl)phenyl-carbamicacid,4-nitrophenylester 

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-US5374643,1994,A

[1]Xin,Zhili;Zhao,Hongyu;Serby,MichaelD.;Liu,Bo;Liu,Mei;Szczepankiewicz,BruceG.;Nelson,LissaT.J.;Smith,HarrietT.;Suhar,TomS.;Janis,RichS.;Cao,Ning;Camp,HeidiS.;Collins,ChristineA.;Sham,HingL.;Surowy,TeresaK.;Liu,Gang[BioorganicandMedicinalChemistryLetters,2008,vol.18,#15,p.4298-4302]

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2010/53732,2010,A1Locationinpatent:Page/Pagecolumn66-67

[1]CurrentPatentAssignee:BRISTOL-MYERSSQUIBBCO-WO2020/168148,2020,A1

[2]CurrentPatentAssignee:BIOCONLIMITED;BRISTOL-MYERSSQUIBBCO-WO2020/168143,2020,A1

Literature
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SDS
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Tags:76629-35-1 Molecular Formula|76629-35-1 MDL|76629-35-1 SMILES|76629-35-1 3-(3-METHYL-1,2,4-OXADIAZOL-5-YL)ANILINE