Home Other Building Blocks 5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine

5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine

CAS No.:
91643-58-2
Catalog Number:
AG019US5
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
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Product Description
Catalog Number:
AG019US5
Chemical Name:
5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine
CAS Number:
91643-58-2
Molecular Formula:
C12H15N3O2
Molecular Weight:
233.2664
MDL Number:
MFCD09939201
IUPAC Name:
5-(4-butoxyphenyl)-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C12H15N3O2/c1-2-3-8-16-10-6-4-9(5-7-10)11-14-15-12(13)17-11/h4-7H,2-3,8H2,1H3,(H2,13,15)
InChI Key:
GXIQQCJUWDVEJP-UHFFFAOYSA-N
SMILES:
CCCCOc1ccc(cc1)c1nnc(o1)N
Properties
Complexity:
220  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
233.116g/mol
Formal Charge:
0
Heavy Atom Count:
17  
Hydrogen Bond Acceptor Count:
5  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
233.271g/mol
Monoisotopic Mass:
233.116g/mol
Rotatable Bond Count:
5  
Topological Polar Surface Area:
74.2A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.3  
Properties