
 CHEMBL331636

 45 46  0  0  0  0  0  0  0  0999 V2000
   10.3480    4.0663    5.3881 C   0  0  0  0  0
    9.9547    3.8162    3.9408 C   0  0  0  0  0
    8.4444    3.6422    3.7943 C   0  0  0  0  0
    8.0657    3.3951    2.3801 C   0  0  0  0  0
    7.7156    4.2702    1.4577 N   0  0  0  0  0
    7.4842    3.4938    0.3498 C   0  0  0  0  0
    7.0908    3.8413   -0.9477 C   0  0  0  0  0
    6.9396    2.8136   -1.8887 C   0  0  0  0  0
    7.1728    1.4753   -1.5432 C   0  0  0  0  0
    7.5601    1.0967   -0.2427 C   0  0  0  0  0
    7.7022    2.1592    0.6525 C   0  0  0  0  0
    8.0793    2.0898    1.9645 O   0  0  0  0  0
    7.8321   -0.3368    0.1140 C   0  0  0  0  0
    9.3096   -0.6889   -0.0728 C   0  0  0  0  0
    9.6218   -2.1209    0.3559 C   0  0  0  0  0
    8.9880   -3.1126   -0.4895 N   0  0  0  0  0
    9.5436   -3.5136   -1.6873 C   0  0  0  0  0
   10.5960   -3.0559   -2.1193 O   0  0  0  0  0
    8.7157   -4.5619   -2.4296 C   0  0  0  0  0
    9.3089   -4.8519   -3.8076 C   0  0  0  0  0
    8.6160   -5.8538   -1.6196 C   0  0  0  0  0
   11.4323    4.1906    5.4704 H   0  0  0  0  0
   10.0532    3.2263    6.0252 H   0  0  0  0  0
    9.8718    4.9737    5.7729 H   0  0  0  0  0
   10.4747    2.9217    3.5759 H   0  0  0  0  0
   10.2984    4.6555    3.3236 H   0  0  0  0  0
    7.9290    4.5423    4.1498 H   0  0  0  0  0
    8.0986    2.8091    4.4176 H   0  0  0  0  0
    6.9164    4.8782   -1.2110 H   0  0  0  0  0
    6.6416    3.0612   -2.9056 H   0  0  0  0  0
    7.0532    0.7106   -2.3104 H   0  0  0  0  0
    7.1980   -0.9904   -0.4973 H   0  0  0  0  0
    7.5352   -0.5090    1.1562 H   0  0  0  0  0
    9.9260   -0.0070    0.5269 H   0  0  0  0  0
    9.6002   -0.5364   -1.1197 H   0  0  0  0  0
    9.2838   -2.3019    1.3817 H   0  0  0  0  0
   10.7054   -2.2810    0.3272 H   0  0  0  0  0
    8.0778   -3.4641   -0.2232 H   0  0  0  0  0
    7.7094   -4.1474   -2.5712 H   0  0  0  0  0
   10.3200   -5.2670   -3.7276 H   0  0  0  0  0
    9.3729   -3.9364   -4.4054 H   0  0  0  0  0
    8.6895   -5.5692   -4.3563 H   0  0  0  0  0
    9.6095   -6.2653   -1.4097 H   0  0  0  0  0
    8.0395   -6.6106   -2.1620 H   0  0  0  0  0
    8.1196   -5.6890   -0.6579 H   0  0  0  0  0
  1  2  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  1 24  1  0  0  0
  2  3  1  0  0  0
  2 25  1  0  0  0
  2 26  1  0  0  0
  3  4  1  0  0  0
  3 27  1  0  0  0
  3 28  1  0  0  0
  4 12  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6 11  1  0  0  0
  6  7  2  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8  9  2  0  0  0
  8 30  1  0  0  0
  9 10  1  0  0  0
  9 31  1  0  0  0
 10 11  2  0  0  0
 10 13  1  0  0  0
 11 12  1  0  0  0
 13 14  1  0  0  0
 13 32  1  0  0  0
 13 33  1  0  0  0
 14 15  1  0  0  0
 14 34  1  0  0  0
 14 35  1  0  0  0
 15 16  1  0  0  0
 15 36  1  0  0  0
 15 37  1  0  0  0
 16 17  1  0  0  0
 16 38  1  0  0  0
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 21  1  0  0  0
 19 20  1  0  0  0
 19 39  1  0  0  0
 20 40  1  0  0  0
 20 41  1  0  0  0
 20 42  1  0  0  0
 21 43  1  0  0  0
 21 44  1  0  0  0
 21 45  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL331636

>  <PubChem CID>
22718654

>  <Formula>
C17H24N2O2

>  <Molecular Weight>
288.391000

>  <IUPAC Name>
2-methyl-N-[3-(2-propyl-1,3-benzoxazol-7-yl)propyl]propanamide

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCCC1=NC2=CC=CC(=C2O1)CCCNC(=O)C(C)C

>  <Isomeric SMILES>
CCCC1=NC2=CC=CC(=C2O1)CCCNC(=O)C(C)C

>  <InChI Std. ID>
InChI=1S/C17H24N2O2/c1-4-7-15-19-14-10-5-8-13(16(14)21-15)9-6-11-18-17(20)12(2)3/h5,8,10,12H,4,6-7,9,11H2,1-3H3,(H,18,20)

>  <InChI Key>
BEQGDFNQWJVWGJ-UHFFFAOYSA-N

