Home Amines 1177318-35-2
1177318-35-2,MFCD16631726
Catalog No.:AA01AQBH
1177318-35-2 | 5-[4-(Isopropylsulfonyl)phenyl]-1,3,4-oxadiazol-2-amine
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Technical Information
Catalog Number:
AA01AQBH
Chemical Name:
5-[4-(Isopropylsulfonyl)phenyl]-1,3,4-oxadiazol-2-amine
CAS Number:
1177318-35-2
Molecular Formula:
C11H13N3O3S
Molecular Weight:
267.3042
MDL Number:
MFCD16631726
IUPAC Name:
5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-amine
InChI:
InChI=1S/C11H13N3O3S/c1-7(2)18(15,16)9-5-3-8(4-6-9)10-13-14-11(12)17-10/h3-7H,1-2H3,(H2,12,14)
InChI Key:
XIVORVIZRWAOKD-UHFFFAOYSA-N
SMILES:
Nc1nnc(o1)c1ccc(cc1)S(=O)(=O)C(C)C
Properties
Computed Properties
 
Complexity:
372  
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1  
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
267.068g/mol
Formal Charge:
0
Heavy Atom Count:
18  
Hydrogen Bond Acceptor Count:
6  
Hydrogen Bond Donor Count:
1  
Isotope Atom Count:
0
Molecular Weight:
267.303g/mol
Monoisotopic Mass:
267.068g/mol
Rotatable Bond Count:
3  
Topological Polar Surface Area:
108A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
1.1  

Synonyms
 
5-[4-(isopropylsulfonyl)phenyl]-1,3,4-oxadiazol-2-amine 
1177318-35-2 
ZINC34936073 
AKOS015957825 
MCULE-1740665959 
L-3008 
F2146-0625 
5-[4-(propane-2-sulfonyl)phenyl]-1,3,4-oxadiazol-2-amine 
5-(4-propan-2-ylsulfonylphenyl)-1,3,4-oxadiazol-2-amine 
Literature
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