
 CHEMBL124783

 42 43  0  0  0  0  0  0  0  0999 V2000
    3.7944    7.1481   -2.3155 C   0  0  0  0  0
    3.3512    5.6925   -2.2400 C   0  0  0  0  0
    3.4972    5.0887   -0.8435 C   0  0  0  0  0
    4.9151    4.9882   -0.4128 C   0  0  0  0  0
    5.6138    5.8423    0.3088 N   0  0  0  0  0
    6.8499    5.2535    0.3997 C   0  0  0  0  0
    8.0232    5.6825    1.0282 C   0  0  0  0  0
    9.1535    4.8607    0.9430 C   0  0  0  0  0
    9.1147    3.6472    0.2430 C   0  0  0  0  0
    7.9506    3.1959   -0.4120 C   0  0  0  0  0
    6.8513    4.0488   -0.2861 C   0  0  0  0  0
    5.6053    3.8775   -0.8226 O   0  0  0  0  0
    7.9308    1.9162   -1.2001 C   0  0  0  0  0
    8.8674    1.8947   -2.4166 C   0  0  0  0  0
    8.4737    2.8648   -3.5339 C   0  0  0  0  0
    8.7368    4.2504   -3.2071 N   0  0  0  0  0
    9.9932    4.8075   -3.3245 C   0  0  0  0  0
   10.9601    4.2072   -3.7794 O   0  0  0  0  0
   10.0704    6.2210   -2.7755 C   0  0  0  0  0
   11.1272    7.0485   -3.4830 C   0  0  0  0  0
    3.5793    7.5556   -3.3084 H   0  0  0  0  0
    4.8703    7.2481   -2.1421 H   0  0  0  0  0
    3.2668    7.7590   -1.5763 H   0  0  0  0  0
    3.9191    5.1043   -2.9711 H   0  0  0  0  0
    2.2963    5.6362   -2.5348 H   0  0  0  0  0
    3.0493    4.0879   -0.8374 H   0  0  0  0  0
    2.9376    5.6879   -0.1160 H   0  0  0  0  0
    8.0484    6.6251    1.5637 H   0  0  0  0  0
   10.0791    5.1731    1.4226 H   0  0  0  0  0
   10.0225    3.0454    0.1960 H   0  0  0  0  0
    6.9082    1.6953   -1.5301 H   0  0  0  0  0
    8.2115    1.0997   -0.5225 H   0  0  0  0  0
    8.8388    0.8794   -2.8322 H   0  0  0  0  0
    9.9033    2.0746   -2.1053 H   0  0  0  0  0
    7.4077    2.7790   -3.7678 H   0  0  0  0  0
    9.0377    2.6158   -4.4399 H   0  0  0  0  0
    8.0206    4.7691   -2.7163 H   0  0  0  0  0
   10.3115    6.1484   -1.7100 H   0  0  0  0  0
    9.0978    6.7143   -2.8700 H   0  0  0  0  0
   12.1179    6.5903   -3.4012 H   0  0  0  0  0
   11.1777    8.0512   -3.0473 H   0  0  0  0  0
   10.8907    7.1492   -4.5479 H   0  0  0  0  0
  1  2  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  1 23  1  0  0  0
  2  3  1  0  0  0
  2 24  1  0  0  0
  2 25  1  0  0  0
  3  4  1  0  0  0
  3 26  1  0  0  0
  3 27  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 28  1  0  0  0
  8  9  2  0  0  0
  8 29  1  0  0  0
  9 10  1  0  0  0
  9 30  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 31  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
 17 19  1  0  0  0
 17 18  2  0  0  0
 19 20  1  0  0  0
 19 38  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
M  END

>  <Chemical Name>
CHEMBL124783

>  <PubChem CID>
22718661

>  <Formula>
C16H22N2O2

>  <Molecular Weight>
274.364000

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

>  <XlogP>
3.4

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

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

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

>  <InChI Std. ID>
InChI=1S/C16H22N2O2/c1-3-7-15-18-13-10-5-8-12(16(13)20-15)9-6-11-17-14(19)4-2/h5,8,10H,3-4,6-7,9,11H2,1-2H3,(H,17,19)

>  <InChI Key>
BMCYPJHTYPAAIJ-UHFFFAOYSA-N

