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3451-51-2,MFCD16877047
Catalog No.:AA0033B0

3451-51-2 | 2-methyl-1,3,4-oxadiazole

Pack Size
Purity
Availability
Price(USD)
Quantity
  
100mg
95%
in stock  
$10.00   $7.00
- +
250mg
95%
in stock  
$17.00   $12.00
- +
1g
95%
in stock  
$39.00   $27.00
- +
  • Technical Information
  • Properties
  • Upstream Synthesis Route
  • Downstream Synthesis Route
  • Literature
  • Request for Quotation
  • Download SDS
Technical Information
Catalog Number:
AA0033B0
Chemical Name:
2-methyl-1,3,4-oxadiazole
CAS Number:
3451-51-2
Molecular Formula:
C3H4N2O
Molecular Weight:
84.0767
MDL Number:
MFCD16877047
SMILES:
Cc1nnco1
Properties
Properties
 
BP:
123°C at 760 mmHg  
Form:
Solid  
MP:
180-181℃(Solv: ethanol (64-17-5))  
Storage:
Keep in dry area;2-8℃;  

Computed Properties
 
Complexity:
48.1  
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0  
Defined Bond Stereocenter Count:
0  
Formal Charge:
0  
Heavy Atom Count:
6  
Hydrogen Bond Acceptor Count:
3  
Hydrogen Bond Donor Count:
0  
Isotope Atom Count:
0  
Rotatable Bond Count:
0  
Undefined Atom Stereocenter Count:
0  
Undefined Bond Stereocenter Count:
0  
XLogP3:
0.2  

Upstream Synthesis Route

[1]JournalofMedicinalChemistry,2001,vol.44,#8,p.1268-1285

[2]Patent:WO2011/88025,2011,A1,.Locationinpatent:Page/Pagecolumn48;51

[1]HelveticaChimicaActa,1980,vol.63,#3,p.588-605

[1]JournalofOrganicChemistry,1966,vol.31,p.3442-3444

[1]JournalofOrganicChemistry,1966,vol.31,p.3442-3444

[1]JournaloftheChemicalSociety[Section]C:Organic,1970,p.1397-1401

Downstream Synthesis Route

[1]JournalofOrganicChemistry,1966,vol.31,p.3442-3444

[1]JournaloftheChemicalSocietyC:Organic,1970,p.1397-1401

[1]JournalofOrganicChemistry,1966,vol.31,p.3442-3444

[1]HelveticaChimicaActa,1980,vol.63,p.588-605

[1]HelveticaChimicaActa,1980,vol.63,p.588-605

Literature

Title: Metabolism of 5-isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (BMS-645737): identification of an unusual N-acetylglucosamine conjugate in the cynomolgus monkey.

Journal: Drug metabolism and disposition: the biological fate of chemicals 20081201

Quotation Request
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SDS
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Tags:3451-51-2 Molecular Formula|3451-51-2 MDL|3451-51-2 SMILES|3451-51-2 2-methyl-1,3,4-oxadiazole
Catalog No.: AA0033B0
3451-51-2,MFCD16877047
3451-51-2 | 2-methyl-1,3,4-oxadiazole
Pack Size： 100mg
Purity： 95%
in stock
$10.00 $7.00
Pack Size： 250mg
Purity： 95%
in stock
$17.00 $12.00
Pack Size： 1g
Purity： 95%
in stock
$39.00 $27.00
Quantity
- +
Add to Card
Order Now
bulk Quotation Request
Technical Information
Catalog Number: AA0033B0
Chemical Name: 2-methyl-1,3,4-oxadiazole
CAS Number: 3451-51-2
Molecular Formula: C3H4N2O
Molecular Weight: 84.0767
MDL Number: MFCD16877047
SMILES: Cc1nnco1
Properties
BP: 123°C at 760 mmHg  
Form: Solid  
MP: 180-181℃(Solv: ethanol (64-17-5))  
Storage: Keep in dry area;2-8℃;  
Complexity: 48.1  
Covalently-Bonded Unit Count: 1  
Defined Atom Stereocenter Count: 0  
Defined Bond Stereocenter Count: 0  
Formal Charge: 0  
Heavy Atom Count: 6  
Hydrogen Bond Acceptor Count: 3  
Hydrogen Bond Donor Count: 0  
Isotope Atom Count: 0  
Rotatable Bond Count: 0  
Undefined Atom Stereocenter Count: 0  
Undefined Bond Stereocenter Count: 0  
XLogP3: 0.2  
Upstream Synthesis Route
1068-57-1    149-73-5    3451-51-2 

[1]JournalofMedicinalChemistry,2001,vol.44,#8,p.1268-1285

[2]Patent:WO2011/88025,2011,A1,.Locationinpatent:Page/Pagecolumn48;51

51410-11-8    3451-51-2 

[1]HelveticaChimicaActa,1980,vol.63,#3,p.588-605

13148-69-1    3451-51-2 

[1]JournalofOrganicChemistry,1966,vol.31,p.3442-3444

13148-73-7    122-51-0    3451-51-2 

[1]JournalofOrganicChemistry,1966,vol.31,p.3442-3444

108-24-7    624-84-0    3451-51-2 

[1]JournaloftheChemicalSociety[Section]C:Organic,1970,p.1397-1401

Downstream Synthesis Route
13148-69-1    3451-51-2 

[1]JournalofOrganicChemistry,1966,vol.31,p.3442-3444

108-24-7    624-84-0    3451-51-2 

[1]JournaloftheChemicalSocietyC:Organic,1970,p.1397-1401

13148-73-7    122-51-0    3451-51-2 

[1]JournalofOrganicChemistry,1966,vol.31,p.3442-3444

51410-11-8    3451-51-2 

[1]HelveticaChimicaActa,1980,vol.63,p.588-605

51410-11-8    3451-51-2    75054-70-5 

[1]HelveticaChimicaActa,1980,vol.63,p.588-605

Literature fold

Title: Metabolism of 5-isopropyl-6-(5-methyl-1,3,4-oxadiazol-2-yl)-N-(2-methyl-1H-pyrrolo[2,3-b]pyridin-5-yl)pyrrolo[2,1-f][1,2,4]triazin-4-amine (BMS-645737): identification of an unusual N-acetylglucosamine conjugate in the cynomolgus monkey.

Journal: Drug metabolism and disposition: the biological fate of chemicals20081201

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