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4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidine
4-(3-isopropyl-1,2,4-oxadiazol-5-yl)piperidine
ID: BP-11776
CAS:733748-92-0
Supplier:BroadPharm

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SMILES:n1c(noc1C1CCNCC1)C(C)C	
FORMULA: C10H17N3O
MASS: 195.2615
EXACT MASS: 195.1371622
INTERATOMIC DISTANCES

              N   1      C   2      C   3      N   4      O   5      N   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.5995     0.0000 
   C   3    0.5992     0.9724     0.0000 
   N   4    0.9692     0.6000     0.9724     0.0000 
   O   5    0.9708     0.9726     0.6026     0.6008     0.0000 
   N   6    2.2077     2.7415     1.8000     2.7415     2.2087     0.0000 
   C   7    1.0696     1.5542     0.6000     1.5542     1.0715     1.2000 
   C   8    1.0937     0.5975     1.5616     1.0378     1.5380     3.2968 
   C   9    1.8545     2.4347     1.5865     2.5588     2.1087     0.5975 
   C  10    2.1086     2.5601     1.5878     2.4350     1.8545     0.6010 
   C  11    1.2546     1.8378     1.0378     1.9994     1.6067     1.0378 
   C  12    1.6066     2.0011     1.0398     1.8383     1.2546     1.0398 
   C  13    1.6187     1.0375     1.9853     1.1985     1.7907     3.7744 
   C  14    1.3001     1.0341     1.8731     1.5825     2.0040     3.4552 

              C   7      C   8      C   9      C  10      C  11      C  12
              ------------------------------------------------------------------
   C   7    0.0000 
   C   8    2.1280     0.0000 
   C   9    1.0378     2.9429     0.0000 
   C  10    1.0398     3.1480     1.0375     0.0000 
   C  11    0.5975     2.3432     0.6000     1.1985     0.0000 
   C  12    0.6010     2.5961     1.1985     0.6000     1.0375     0.0000 
   C  13    2.5800     0.6010     3.4693     3.5585     2.8707     2.9779 
   C  14    2.3661     0.5958     3.0191     3.4059     2.4382     2.9035 

              C  13      C  14
              ----------------------
   C  13    0.0000 
   C  14    1.0362     0.0000 



ATOMIC CHARGES
   N   1   -0.1949102154
   C   2    0.1800241060
   C   3    0.2358972866
   N   4   -0.0606388884
   O   5   -0.3373667347
   N   6   -0.2180245988
   C   7    0.0821023881
   C   8    0.0620558797
   C   9    0.0891962248
   C  10    0.0891962248
   C  11    0.0281473228
   C  12    0.0281473228
   C  13    0.0080868409
   C  14    0.0080868409


BOND ANGLES
   2    1    3  Car  Nar  Car    108.434
   1    2    4  Nar  Car  Nar    107.803
   1    2    8  Nar  Car   C3    132.057
   4    2    8  Nar  Car   C3    120.140
   1    3    5  Nar  Car   O2    107.762
   1    3    7  Nar  Car   C3    126.237
   5    3    7   O2  Car   C3    126.001
   2    4    5  Car  Nar   O2    108.185
   3    5    4  Car   O2  Nar    107.816
   9    6   10   C3   N3   C3    119.917
   3    7   11  Car   C3   C3    120.140
   3    7   12  Car   C3   C3    119.944
  11    7   12   C3   C3   C3    119.917
   2    8   13  Car   C3   C3    119.917
   2    8   14  Car   C3   C3    120.140
  13    8   14   C3   C3   C3    119.944
   6    9   11   N3   C3   C3    120.140
   6   10   12   N3   C3   C3    119.944
   7   11    9   C3   C3   C3    120.140
   7   12   10   C3   C3   C3    119.944


TORSION ANGLES
   4    2    1    3      0.026
   8    2    1    3    179.974
   5    3    1    2      0.026
   7    3    1    2    179.974
   5    4    2    1      0.026
   5    4    2    8    179.974
   4    5    3    1      0.026
   4    5    3    7    179.974
   9    6   10   12      0.026
  11    7    3    1      0.026
  11    7    3    5    179.974
  12    7    3    1    179.974
  12    7    3    5      0.026
  13    8    2    1    179.974
  13    8    2    4      0.026
  14    8    2    1      0.026
  14    8    2    4    179.974
   6    9   11    7      0.026
   6   10   12    7      0.026
   9   11    7    3    179.974
   9   11    7   12      0.026
  10   12    7    3    179.974
  10   12    7   11      0.026
   2    4    5    3      0.026
  10    6    9   11      0.026