
 CHEMBL455266

 43 46  0  0  0  0  0  0  0  0999 V2000
   -0.8113   -0.6862    1.2163 C   0  0  0  0  0
    0.0352   -1.0293    0.0024 C   0  0  0  0  0
    1.0628    0.0340   -0.0478 N   0  0  0  0  0
    0.9633    0.6009    1.1136 C   0  0  0  0  0
    0.0162    0.1764    1.9831 O   0  0  0  0  0
    1.7798    1.7269    1.6022 C   0  0  0  0  0
    1.5157    2.3332    2.8369 C   0  0  0  0  0
    2.2468    3.4568    3.2598 C   0  0  0  0  0
    3.2884    3.9247    2.4439 C   0  0  0  0  0
    3.5687    3.3103    1.2214 C   0  0  0  0  0
    2.8109    2.2192    0.7963 C   0  0  0  0  0
    1.9816    4.1242    4.5951 C   0  0  0  0  0
    0.5461    4.1626    4.9935 C   0  0  0  0  0
   -0.1192    3.6419    6.0830 C   0  0  0  0  0
   -1.4605    3.9123    6.0122 N   0  0  0  0  0
   -1.6211    4.5883    4.8988 C   0  0  0  0  0
   -0.4336    4.7784    4.2524 N   0  0  0  0  0
   -0.7507   -1.0505   -1.3123 C   0  0  0  0  0
   -1.8876   -2.0438   -1.3345 C   0  0  0  0  0
   -3.2080   -1.6002   -1.4939 C   0  0  0  0  0
   -4.2645   -2.5118   -1.5202 C   0  0  0  0  0
   -4.0120   -3.8755   -1.3889 C   0  0  0  0  0
   -2.7030   -4.3285   -1.2360 C   0  0  0  0  0
   -1.6448   -3.4182   -1.2124 C   0  0  0  0  0
   -1.7346   -0.1504    0.9720 H   0  0  0  0  0
   -1.0631   -1.5760    1.8025 H   0  0  0  0  0
    0.5462   -1.9877    0.1598 H   0  0  0  0  0
    0.7237    1.9372    3.4704 H   0  0  0  0  0
    3.8944    4.7734    2.7568 H   0  0  0  0  0
    4.3775    3.6832    0.5975 H   0  0  0  0  0
    3.0282    1.7542   -0.1631 H   0  0  0  0  0
    2.3492    5.1586    4.5661 H   0  0  0  0  0
    2.5681    3.5993    5.3594 H   0  0  0  0  0
    0.2958    3.0776    6.9090 H   0  0  0  0  0
   -2.5603    4.9593    4.5130 H   0  0  0  0  0
   -0.3075    5.2536    3.3690 H   0  0  0  0  0
   -0.0713   -1.2813   -2.1431 H   0  0  0  0  0
   -1.1319   -0.0423   -1.5232 H   0  0  0  0  0
   -3.4250   -0.5398   -1.6027 H   0  0  0  0  0
   -5.2845   -2.1578   -1.6467 H   0  0  0  0  0
   -4.8350   -4.5857   -1.4122 H   0  0  0  0  0
   -2.5056   -5.3932   -1.1404 H   0  0  0  0  0
   -0.6292   -3.7923   -1.1053 H   0  0  0  0  0
  1  5  1  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 18  1  0  0  0
  2 27  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  4  6  1  0  0  0
  6  7  2  0  0  0
  6 11  1  0  0  0
  7  8  1  0  0  0
  7 28  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
  9 29  1  0  0  0
 10 11  2  0  0  0
 10 30  1  0  0  0
 11 31  1  0  0  0
 12 13  1  0  0  0
 12 32  1  0  0  0
 12 33  1  0  0  0
 13 14  2  0  0  0
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 14 15  1  0  0  0
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 18 19  1  0  0  0
 18 37  1  0  0  0
 18 38  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
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 21 22  2  0  0  0
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 24 43  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL455266

>  <PubChem CID>
24825526

>  <Formula>
C20H19N3O

>  <Molecular Weight>
317.392000

>  <IUPAC Name>
(4R)-4-benzyl-2-[3-(1H-imidazol-5-ylmethyl)phenyl]-4,5-dihydro-1,3-oxazole

>  <XlogP>
3.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
C1C(N=C(O1)C2=CC(=CC=C2)CC3=CN=CN3)CC4=CC=CC=C4

>  <Isomeric SMILES>
C1[C@H](N=C(O1)C2=CC(=CC=C2)CC3=CN=CN3)CC4=CC=CC=C4

>  <InChI Std. ID>
InChI=1S/C20H19N3O/c1-2-5-15(6-3-1)10-19-13-24-20(23-19)17-8-4-7-16(9-17)11-18-12-21-14-22-18/h1-9,12,14,19H,10-11,13H2,(H,21,22)/t19-/m1/s1

>  <InChI Key>
CMXALEKLGZDBSD-LJQANCHMSA-N

