Sign In Join Free

Products Information

3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-(4S)-2-oxazolidinone
3-[5-(4-fluorophenyl)-1,5-dioxopentyl]-4-phenyl-(4S)-2-oxazolidinone ID: B184432
CAS:189028-93-1
Supplier:BEYOND PHARMATECH CORPORATION LIMITED

Get a quote


SMILES:N1(C(=O)OC[C@@H]1c1ccccc1)C(=O)CCCC(=O)c1ccc(cc1)F	
FORMULA: C20H18FNO4
MASS: 355.3596
EXACT MASS: 355.1219863
INTERATOMIC DISTANCES

              N   1      C   2      C   3      C   4      O   5      C   6
              ------------------------------------------------------------------
   N   1    0.0000 
   C   2    0.7387     0.0000 
   C   3    0.7413     1.1985     0.0000 
   C   4    0.7354     1.3142     1.3141     0.0000 
   O   5    1.2004     0.7402     1.2049     1.9132     0.0000 
   C   6    1.2004     1.1950     0.7485     1.9140     0.7391     0.0000 
   O   7    1.3190     0.7445     1.9193     1.6056     1.3222     1.9168 
   C   8    3.2329     3.8880     3.4666     2.5750     4.4295     4.2106 
   C   9    3.8542     4.5400     3.9955     3.2390     5.0346     4.7439 
   O  10    1.2843     1.5472     1.9840     0.7458     2.2683     2.4703 
   C  11    1.3255     1.9200     0.7433     1.6124     1.9251     1.3302 
   O  12    3.3996     3.9731     3.7698     2.6814     4.5933     4.4890 
   C  13    4.5139     5.1753     4.7034     3.8625     5.7066     5.4516 
   C  14    3.9289     4.6522     3.9293     3.4091     5.0557     4.6642 
   C  15    5.1938     5.9088     5.2126     4.6395     6.3336     5.9471 
   C  16    5.1375     5.8213     5.2615     4.5167     6.3165     6.0086 
   C  17    4.6415     5.3709     4.5925     4.1451     5.7446     5.3142 
   F  18    5.8982     6.6204     5.8761     5.3652     7.0194     6.6005 
   C  19    1.2875     1.9866     1.5454     0.7504     2.4739     2.2727 
   C  20    1.9588     2.6008     2.2825     1.2875     3.1591     3.0056 
   C  21    2.5667     3.2567     2.7394     1.9661     3.7490     3.4866 
   C  22    1.5483     2.2659     1.2790     1.4763     2.4706     1.9870 
   C  23    1.9872     2.4686     1.2848     2.3518     2.2715     1.5530 
   C  24    2.6052     3.1579     1.9596     2.8339     3.0078     2.2932 
   C  25    2.2914     3.0050     1.9581     2.1676     3.1629     2.6083 
   C  26    2.7328     3.3882     2.2271     2.7639     3.3930     2.7370 

              O   7      C   8      C   9      O  10      C  11      O  12
              ------------------------------------------------------------------
   O   7    0.0000 
   C   8    4.0922     0.0000 
   C   9    4.7938     0.7432     0.0000 
   O  10    1.4691     2.6780     3.4038     0.0000 
   C  11    2.6130     3.1708     3.5944     2.3559     0.0000 
   O  12    4.0423     0.7375     1.2822     2.5750     3.6029     0.0000 
   C  13    5.3676     1.2875     0.7426     3.9321     4.3283     1.4843 
   C  14    5.0105     1.2951     0.7500     3.7196     3.4124     1.9686 
   C  15    6.2259     2.2296     1.4864     4.8711     4.6866     2.6755 
   C  16    6.0542     1.9628     1.2833     4.6364     4.8186     2.2239 
   C  17    5.7489     1.9768     1.2972     4.4664     4.0262     2.5794 
   F  18    6.9584     2.9800     2.2368     5.6162     5.3134     3.4081 
   C  19    2.3535     1.9604     2.5667     1.2935     1.4735     2.2249 
   C  20    2.8297     1.2875     1.9653     1.4864     2.1593     1.4874 
   C  21    3.5481     0.7468     1.2875     2.2296     2.4240     1.2885 
   C  22    2.8551     2.4557     2.8583     2.1868     0.7366     2.9349 
   C  23    3.2007     3.7169     4.0430     3.0926     0.7430     4.2206 
   C  24    3.8743     3.6714     3.8642     3.5776     1.2808     4.2666 
   C  25    3.5974     2.3901     2.6021     2.8359     1.2790     3.0047 
   C  26    4.0502     3.0691     3.1822     3.4735     1.4838     3.7157 

              C  13      C  14      C  15      C  16      C  17      F  18
              ------------------------------------------------------------------
   C  13    0.0000 
   C  14    1.2900     0.0000 
   C  15    1.2859     1.2833     0.0000 
   C  16    0.7396     1.4822     0.7417     0.0000 
   C  17    1.4917     0.7468     0.7396     1.2859     0.0000 
   F  18    1.9705     1.9693     0.7504     1.2921     1.2875     0.0000 
   C  19    3.2329     2.6752     3.9232     3.8500     3.4052     4.6395 
   C  20    2.5750     2.2333     3.4038     3.2353     2.9800     4.1435 
   C  21    1.9678     1.4900     2.6780     2.5708     2.2368     3.4116 
   C  22    3.5933     2.6905     3.9701     4.0837     3.3275     4.6143 
   C  23    4.7856     3.7395     4.9720     5.2010     4.2680     5.5368 
   C  24    4.5980     3.4389     4.5991     4.9211     3.8699     5.0990 
   C  25    3.3421     2.2560     3.4930     3.7226     2.7997     4.0794 
   C  26    3.9052     2.7126     3.8542     4.1936     3.1235     4.3527 

              C  19      C  20      C  21      C  22      C  23      C  24
              ------------------------------------------------------------------
   C  19    0.0000 
   C  20    0.7375     0.0000 
   C  21    1.2792     0.7432     0.0000 
   C  22    1.0063     1.5626     1.7113     0.0000 
   C  23    2.1839     2.8294     2.9806     1.2862     0.0000 
   C  24    2.4866     3.0143     2.9810     1.4833     0.7405     0.0000 
   C  25    1.5625     1.8815     1.7164     0.7433     1.4837     1.2831 
   C  26    2.2435     2.6193     2.4322     1.2887     1.2912     0.7472 

              C  25      C  26
              ----------------------
   C  25    0.0000 
   C  26    0.7404     0.0000 



ATOMIC CHARGES
   N   1   -0.1896833408
   C   2    0.4110907764
   C   3    0.1517161117
   C   4    0.2341729637
   O   5   -0.4320538629
   C   6    0.2347647192
   O   7   -0.2257523313
   C   8    0.1730513846
   C   9    0.0348427159
   O  10   -0.2743648491
   C  11   -0.0001179541
   O  12   -0.2913387081
   C  13    0.0051451470
   C  14    0.0051451470
   C  15    0.1401460842
   C  16    0.0297282899
   C  17    0.0297282899
   F  18   -0.2041718297
   C  19    0.0862491361
   C  20    0.0176882573
   C  21    0.0696587500
   C  22   -0.0025449489
   C  23   -0.0025449489
   C  24   -0.0002681655
   C  25   -0.0002681655
   C  26   -0.0000186681


BOND ANGLES
   2    1    3   C2  Nam   C3    108.156
   2    1    4   C2  Nam   C2    126.129
   3    1    4   C3  Nam   C2    125.715
   1    2    5  Nam   C2   O3    108.530
   1    2    7  Nam   C2   O2    125.586
   5    2    7   O3   C2   O2    125.884
   1    3    6  Nam   C3   C3    107.367
   1    3   11  Nam   C3  Car    126.467
   6    3   11   C3   C3  Car    126.166
   1    4   10  Nam   C2   O2    120.231
   1    4   19  Nam   C2   C3    120.110
  10    4   19   O2   C2   C3    119.659
   2    5    6   C2   O3   C3    107.762
   3    6    5   C3   C3   O3    108.185
   9    8   21  Car   C2   C3    119.556
  12    8   21   O2   C2   C3    120.469
   9    8   12  Car   C2   O2    119.975
   8    9   13   C2  Car  Car    120.110
   8    9   14   C2  Car  Car    120.301
  13    9   14  Car  Car  Car    119.589
   3   11   22   C3  Car  Car    119.596
   3   11   23   C3  Car  Car    119.640
  22   11   23  Car  Car  Car    120.763
   9   13   16  Car  Car  Car    119.946
   9   14   17  Car  Car  Car    120.143
  17   15   18  Car  Car    F    119.553
  16   15   17  Car  Car  Car    120.466
  16   15   18  Car  Car    F    119.982
  13   16   15  Car  Car  Car    120.466
  14   17   15  Car  Car  Car    119.392
   4   19   20   C2   C3   C3    119.834
  19   20   21   C3   C3   C3    119.514
   8   21   20   C2   C3   C3    119.556
  11   22   25  Car  Car  Car    119.596
  11   23   24  Car  Car  Car    119.400
  23   24   26  Car  Car  Car    120.441
  22   25   26  Car  Car  Car    120.584
  24   26   25  Car  Car  Car    119.215


TORSION ANGLES
   5    2    1    3      0.026
   5    2    1    4    179.974
   7    2    1    3    179.974
   7    2    1    4      0.026
   6    3    1    2      0.026
   6    3    1    4    179.974
  11    3    1    2    179.974
  11    3    1    4      0.026
  10    4    1    2      0.026
  10    4    1    3    179.974
  19    4    1    2    179.974
  19    4    1    3      0.026
   6    5    2    1      0.026
   6    5    2    7    179.974
   5    6    3    1      0.026
   5    6    3   11    179.974
   9    8   21   20    179.974
  12    8   21   20      0.026
  13    9    8   21    179.974
  13    9    8   12      0.026
  14    9    8   21      0.026
  14    9    8   12    179.974
   1    3   11   22      0.026
   1    3   11   23    179.974
   6    3   11   22    179.974
   6    3   11   23      0.026
  16   13    9    8    179.974
  16   13    9   14      0.026
  17   14    9    8    179.974
  17   14    9   13      0.026
  18   15   17   14    179.974
  16   15   17   14      0.026
  15   16   13    9      0.026
  15   17   14    9      0.026
  20   19    4    1    179.974
  20   19    4   10      0.026
  21   20   19    4    179.974
   8   21   20   19    179.974
  25   22   11    3    179.974
  25   22   11   23      0.026
  24   23   11    3    179.974
  24   23   11   22      0.026
  26   24   23   11      0.026
  26   25   22   11      0.026
  25   26   24   23      0.026
   3    6    5    2      0.026
  22   25   26   24      0.026
  13   16   15   17      0.026
  13   16   15   18    179.974


CHIRAL ATOMS
  13   16   15   18    179.974