
 SCHEMBL1615626

 60 63  0  0  0  0  0  0  0  0999 V2000
    4.2056    5.7519   -0.4197 C   0  0  0  0  0
    4.3246    4.2918   -0.2428 C   0  0  0  0  0
    3.8055    3.3905    0.6634 C   0  0  0  0  0
    4.3217    2.1397    0.2192 C   0  0  0  0  0
    5.0973    2.2865   -0.8606 N   0  0  0  0  0
    5.0944    3.6358   -1.1479 O   0  0  0  0  0
    4.0972    0.7863    0.7813 C   0  0  0  0  0
    2.9123    3.6711    1.8176 C   0  0  0  0  0
    1.5152    3.6649    1.4006 N   0  0  0  0  0
    0.7276    2.5631    1.2210 C   0  0  0  0  0
   -0.4779    3.0083    0.7274 C   0  0  0  0  0
   -0.3353    4.4187    0.7277 C   0  0  0  0  0
    0.8693    4.8205    1.1527 N   0  0  0  0  0
   -1.5458    2.2263    0.3080 N   0  0  0  0  0
   -1.5546    0.8507    0.2897 C   0  0  0  0  0
   -0.6950    0.0772    0.7040 O   0  0  0  0  0
   -2.8608    0.3772   -0.3709 C   0  0  0  0  0
   -3.5131    1.6562   -0.6047 N   0  0  0  0  0
   -2.7286    2.7268   -0.1833 C   0  0  0  0  0
   -3.0797    3.8978   -0.2401 O   0  0  0  0  0
   -4.8208    1.8159   -1.2234 C   0  0  0  0  0
   -4.7479    2.1124   -2.7022 C   0  0  0  0  0
   -4.9561    1.1055   -3.6571 C   0  0  0  0  0
   -4.8596    1.3822   -5.0236 C   0  0  0  0  0
   -4.6231    2.6864   -5.4517 C   0  0  0  0  0
   -4.4228    3.6994   -4.5149 C   0  0  0  0  0
   -4.4756    3.4126   -3.1512 C   0  0  0  0  0
   -5.0908    0.3330   -5.8706 O   0  0  0  0  0
   -4.1723    0.2134   -6.9610 C   0  0  0  0  0
   -2.9867   -0.6670   -6.5759 C   0  0  0  0  0
   -2.0822   -0.8118   -7.6656 O   0  0  0  0  0
   -3.6298   -0.5019    0.6156 C   0  0  0  0  0
   -2.5066   -0.3734   -1.6510 C   0  0  0  0  0
    4.8229    6.1048   -1.2521 H   0  0  0  0  0
    4.5296    6.2741    0.4857 H   0  0  0  0  0
    3.1677    6.0297   -0.6265 H   0  0  0  0  0
    4.7763    0.0488    0.3397 H   0  0  0  0  0
    3.0729    0.4564    0.5840 H   0  0  0  0  0
    4.2604    0.7854    1.8633 H   0  0  0  0  0
    3.1259    4.6496    2.2622 H   0  0  0  0  0
    3.0199    2.9171    2.6049 H   0  0  0  0  0
    1.1070    1.5697    1.4146 H   0  0  0  0  0
   -1.0505    5.1716    0.4224 H   0  0  0  0  0
   -5.3381    2.6454   -0.7255 H   0  0  0  0  0
   -5.4232    0.9203   -1.0371 H   0  0  0  0  0
   -5.1933    0.0918   -3.3446 H   0  0  0  0  0
   -4.6174    2.9453   -6.5055 H   0  0  0  0  0
   -4.2352    4.7180   -4.8462 H   0  0  0  0  0
   -4.3193    4.2201   -2.4373 H   0  0  0  0  0
   -3.8258    1.1691   -7.3655 H   0  0  0  0  0
   -4.7151   -0.2653   -7.7850 H   0  0  0  0  0
   -3.3227   -1.6601   -6.2581 H   0  0  0  0  0
   -2.4387   -0.2308   -5.7334 H   0  0  0  0  0
   -2.5451   -1.2942   -8.3728 H   0  0  0  0  0
   -3.8526    0.0403    1.5418 H   0  0  0  0  0
   -3.0518   -1.3919    0.8885 H   0  0  0  0  0
   -4.5810   -0.8401    0.1924 H   0  0  0  0  0
   -1.9971    0.2788   -2.3696 H   0  0  0  0  0
   -3.3990   -0.7798   -2.1338 H   0  0  0  0  0
   -1.8368   -1.2158   -1.4443 H   0  0  0  0  0
  1  2  1  0  0  0
  1 34  1  0  0  0
  1 35  1  0  0  0
  1 36  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  7 37  1  0  0  0
  7 38  1  0  0  0
  7 39  1  0  0  0
  8  9  1  0  0  0
  8 40  1  0  0  0
  8 41  1  0  0  0
  9 10  1  0  0  0
  9 13  1  0  0  0
 10 11  2  0  0  0
 10 42  1  0  0  0
 11 12  1  0  0  0
 11 14  1  0  0  0
 12 13  2  0  0  0
 12 43  1  0  0  0
 14 19  1  0  0  0
 14 15  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 18  1  0  0  0
 17 33  1  0  0  0
 17 32  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 21 22  1  0  0  0
 21 44  1  0  0  0
 21 45  1  0  0  0
 22 23  2  0  0  0
 22 27  1  0  0  0
 23 24  1  0  0  0
 23 46  1  0  0  0
 24 25  2  0  0  0
 24 28  1  0  0  0
 25 26  1  0  0  0
 25 47  1  0  0  0
 26 27  2  0  0  0
 26 48  1  0  0  0
 27 49  1  0  0  0
 28 29  1  0  0  0
 29 30  1  0  0  0
 29 50  1  0  0  0
 29 51  1  0  0  0
 30 31  1  0  0  0
 30 52  1  0  0  0
 30 53  1  0  0  0
 31 54  1  0  0  0
 32 55  1  0  0  0
 32 56  1  0  0  0
 32 57  1  0  0  0
 33 58  1  0  0  0
 33 59  1  0  0  0
 33 60  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL1615626

>  <PubChem CID>
53374284

>  <Formula>
C23H27N5O5

>  <Molecular Weight>
453.499000

>  <IUPAC Name>
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-1-[[3-(2-hydroxyethoxy)phenyl]methyl]-5,5-dimethylimidazolidine-2,4-dione

>  <XlogP>
1.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
7

>  <Canonical SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)C(N(C3=O)CC4=CC(=CC=C4)OCCO)(C)C

>  <Isomeric SMILES>
CC1=C(C(=NO1)C)CN2C=C(C=N2)N3C(=O)C(N(C3=O)CC4=CC(=CC=C4)OCCO)(C)C

>  <InChI Std. ID>
InChI=1S/C23H27N5O5/c1-15-20(16(2)33-25-15)14-26-13-18(11-24-26)28-21(30)23(3,4)27(22(28)31)12-17-6-5-7-19(10-17)32-9-8-29/h5-7,10-11,13,29H,8-9,12,14H2,1-4H3

>  <InChI Key>
HOQKILFZGNLRBR-UHFFFAOYSA-N

