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100933-82-2,MFCD06797387
Catalog No.:AA00036C
100933-82-2 | 4-(5-Butyl-1,3,4-oxadiazol-2-yl)aniline
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Technical Information
Catalog Number:
AA00036C
Chemical Name:
4-(5-Butyl-1,3,4-oxadiazol-2-yl)aniline
CAS Number:
100933-82-2
Molecular Formula:
C12H15N3O
Molecular Weight:
217.2670
MDL Number:
MFCD06797387
IUPAC Name:
4-(5-butyl-1,3,4-oxadiazol-2-yl)aniline
InChI:
InChI=1S/C12H15N3O/c1-2-3-4-11-14-15-12(16-11)9-5-7-10(13)8-6-9/h5-8H,2-4,13H2,1H3
InChI Key:
XPIHSQYFSYJQEZ-UHFFFAOYSA-N
SMILES:
CCCCc1nnc(o1)c1ccc(cc1)N
Properties
Computed Properties
 
Complexity:
204  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
217.122g/mol
Formal Charge:
0
Heavy Atom Count:
16  
Hydrogen Bond Acceptor Count:
4  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
217.272g/mol
Monoisotopic Mass:
217.122g/mol
Rotatable Bond Count:
4  
Topological Polar Surface Area:
64.9A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
2.5  

Synonyms
 
4-(5-butyl-1,3,4-oxadiazol-2-yl)aniline 
100933-82-2 
ZINC3883519 
ZX-AT017562 
MFCD06797387 
OR9835 
SBB095448 
AKOS005069704 
MCULE-4684163603 
RP12582 
RTR-062845 
AJ-46799 
4-(5-Butyl-1,3,4-oxadiazol-2-yl)phenylamine 
TR-062845 
2-butyl-5-(p-aminophenyl)-1,3,4-oxadiazole 
2-(4'-aminophenyl)-5-butyl-1,3,4-oxadiazole 
12Y-0825 
J-513590 
ZINC03883519 
CID2763465 
butyloxadiazolylphenylamine 
AC1MC8C3 
SCHEMBL4788167 
CTK6D6545 
DTXSID60376970 
XPIHSQYFSYJQEZ-UHFFFAOYSA-N 
KS-00001T9X 
Literature
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