
 CHEMBL1771621

 47 50  0  0  0  0  0  0  0  0999 V2000
   10.5653    0.0776    0.0305 C   0  0  0  0  0
    9.5227   -0.5080   -0.8753 C   0  0  0  0  0
    9.3759   -0.0523   -2.1895 C   0  0  0  0  0
    8.3882   -0.5883   -3.0150 C   0  0  0  0  0
    7.5319   -1.5787   -2.5296 C   0  0  0  0  0
    7.6511   -2.0443   -1.2132 C   0  0  0  0  0
    8.6515   -1.4979   -0.3930 C   0  0  0  0  0
    6.7471   -3.0767   -0.7134 C   0  0  0  0  0
    6.8189   -3.6122    0.5158 N   0  0  0  0  0
    5.7854   -4.5437    0.5362 O   0  0  0  0  0
    5.1775   -4.4778   -0.6837 C   0  0  0  0  0
    5.7207   -3.5881   -1.4812 N   0  0  0  0  0
    4.0156   -5.3915   -0.8947 C   0  0  0  0  0
    2.9474   -4.7811   -1.8117 C   0  0  0  0  0
    3.3596   -4.7846   -3.2832 C   0  0  0  0  0
    3.8304   -6.1582   -3.7460 C   0  0  0  0  0
    4.8219   -6.7447   -2.8472 N   0  0  0  0  0
    4.4789   -6.7542   -1.4224 C   0  0  0  0  0
    5.7915   -7.6607   -3.2874 C   0  0  0  0  0
    6.3504   -8.4164   -2.4819 O   0  0  0  0  0
    6.1520   -7.6532   -4.7968 C   0  0  0  0  0
    7.3444   -8.5462   -5.2542 C   0  0  0  0  0
    6.5696   -8.7955   -6.5607 C   0  0  0  0  0
    5.2832   -8.5069   -5.7639 C   0  0  0  0  0
   11.3135    0.6422   -0.5356 H   0  0  0  0  0
   11.0928   -0.7163    0.5696 H   0  0  0  0  0
   10.0969    0.7526    0.7533 H   0  0  0  0  0
   10.0321    0.7226   -2.5801 H   0  0  0  0  0
    8.2833   -0.2340   -4.0372 H   0  0  0  0  0
    6.7670   -1.9859   -3.1888 H   0  0  0  0  0
    8.7589   -1.8431    0.6343 H   0  0  0  0  0
    3.5534   -5.5511    0.0890 H   0  0  0  0  0
    2.7053   -3.7575   -1.4999 H   0  0  0  0  0
    2.0242   -5.3666   -1.7108 H   0  0  0  0  0
    2.5147   -4.4597   -3.9011 H   0  0  0  0  0
    4.1601   -4.0550   -3.4480 H   0  0  0  0  0
    2.9844   -6.8552   -3.7838 H   0  0  0  0  0
    4.2174   -6.0720   -4.7628 H   0  0  0  0  0
    3.6716   -7.4887   -1.3056 H   0  0  0  0  0
    5.3256   -7.1180   -0.8285 H   0  0  0  0  0
    6.3001   -6.6258   -5.1638 H   0  0  0  0  0
    7.4954   -9.4534   -4.6572 H   0  0  0  0  0
    8.3039   -8.0339   -5.3667 H   0  0  0  0  0
    6.7789   -8.0582   -7.3438 H   0  0  0  0  0
    6.6551   -9.7997   -6.9827 H   0  0  0  0  0
    4.5088   -7.9672   -6.3149 H   0  0  0  0  0
    4.8369   -9.3956   -5.3024 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  2  0  0  0
  2  7  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4 29  1  0  0  0
  5  6  1  0  0  0
  5 30  1  0  0  0
  6  7  2  0  0  0
  6  8  1  0  0  0
  7 31  1  0  0  0
  8 12  1  0  0  0
  8  9  2  0  0  0
  9 10  1  0  0  0
 10 11  1  0  0  0
 11 12  2  0  0  0
 11 13  1  0  0  0
 13 18  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 14 15  1  0  0  0
 14 33  1  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 15 36  1  0  0  0
 16 17  1  0  0  0
 16 37  1  0  0  0
 16 38  1  0  0  0
 17 18  1  0  0  0
 17 19  1  0  0  0
 18 39  1  0  0  0
 18 40  1  0  0  0
 19 21  1  0  0  0
 19 20  2  0  0  0
 21 24  1  0  0  0
 21 22  1  0  0  0
 21 41  1  0  0  0
 22 23  1  0  0  0
 22 42  1  0  0  0
 22 43  1  0  0  0
 23 24  1  0  0  0
 23 44  1  0  0  0
 23 45  1  0  0  0
 24 46  1  0  0  0
 24 47  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1771621

>  <PubChem CID>
54587500

>  <Formula>
C19H23N3O2

>  <Molecular Weight>
325.412000

>  <IUPAC Name>
cyclobutyl-[(3S)-3-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]methanone

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
CC1=CC=CC(=C1)C2=NOC(=N2)C3CCCN(C3)C(=O)C4CCC4

>  <Isomeric SMILES>
CC1=CC=CC(=C1)C2=NOC(=N2)[C@H]3CCCN(C3)C(=O)C4CCC4

>  <InChI Std. ID>
InChI=1S/C19H23N3O2/c1-13-5-2-8-15(11-13)17-20-18(24-21-17)16-9-4-10-22(12-16)19(23)14-6-3-7-14/h2,5,8,11,14,16H,3-4,6-7,9-10,12H2,1H3/t16-/m0/s1

>  <InChI Key>
AURFQZURADYOGD-INIZCTEOSA-N

