Home Other Building Blocks 5-benzyl-1,2,4-oxadiazol-3-amine

5-benzyl-1,2,4-oxadiazol-3-amine

CAS No.:
35604-35-4
Catalog Number:
AG01BFWD
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
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Product Description
Catalog Number:
AG01BFWD
Chemical Name:
5-benzyl-1,2,4-oxadiazol-3-amine
CAS Number:
35604-35-4
Molecular Formula:
C9H9N3O
Molecular Weight:
175.1873
MDL Number:
MFCD00207921
IUPAC Name:
5-benzyl-1,2,4-oxadiazol-3-amine
InChI:
InChI=1S/C9H9N3O/c10-9-11-8(13-12-9)6-7-4-2-1-3-5-7/h1-5H,6H2,(H2,10,12)
InChI Key:
IYGOAQQRJOCCBB-UHFFFAOYSA-N
SMILES:
Nc1noc(n1)Cc1ccccc1
Properties
Complexity:
159  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
175.075g/mol
Formal Charge:
0
Heavy Atom Count:
13  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
175.191g/mol
Monoisotopic Mass:
175.075g/mol
Rotatable Bond Count:
2  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.7  
Properties