
 CHEMBL125642

 40 42  0  0  0  0  0  0  0  0999 V2000
    2.3674    3.8487   -4.6378 C   0  0  0  0  0
    2.7180    5.1324   -3.9067 C   0  0  0  0  0
    2.8803    4.9059   -2.4497 C   0  0  0  0  0
    1.9918    5.0591   -1.4871 N   0  0  0  0  0
    2.6978    4.7632   -0.3472 C   0  0  0  0  0
    2.3145    4.7704    0.9985 C   0  0  0  0  0
    3.2815    4.4516    1.9619 C   0  0  0  0  0
    4.5948    4.1299    1.5910 C   0  0  0  0  0
    5.0044    4.1015    0.2434 C   0  0  0  0  0
    4.0028    4.4301   -0.6724 C   0  0  0  0  0
    4.1241    4.5159   -2.0304 O   0  0  0  0  0
    6.4213    3.7855   -0.1449 C   0  0  0  0  0
    7.3319    5.0170   -0.1533 C   0  0  0  0  0
    7.0067    5.9882   -1.2891 C   0  0  0  0  0
    7.8991    7.1278   -1.3036 N   0  0  0  0  0
    9.1622    7.0572   -1.8333 C   0  0  0  0  0
    9.6694    6.0455   -2.2976 O   0  0  0  0  0
    9.9036    8.3461   -1.7746 C   0  0  0  0  0
   11.0584    8.4984   -0.8130 C   0  0  0  0  0
   11.3199    8.4486   -2.2899 C   0  0  0  0  0
    2.2395    4.0448   -5.7075 H   0  0  0  0  0
    1.4352    3.4171   -4.2570 H   0  0  0  0  0
    3.1571    3.0981   -4.5222 H   0  0  0  0  0
    1.9285    5.8739   -4.0712 H   0  0  0  0  0
    3.6417    5.5516   -4.3215 H   0  0  0  0  0
    1.2994    5.0281    1.2807 H   0  0  0  0  0
    3.0077    4.4596    3.0153 H   0  0  0  0  0
    5.3152    3.8966    2.3749 H   0  0  0  0  0
    6.4362    3.2998   -1.1284 H   0  0  0  0  0
    6.8238    3.0473    0.5603 H   0  0  0  0  0
    8.3691    4.6748   -0.2592 H   0  0  0  0  0
    7.2774    5.5416    0.8090 H   0  0  0  0  0
    5.9979    6.3965   -1.1828 H   0  0  0  0  0
    7.0735    5.4794   -2.2575 H   0  0  0  0  0
    7.5838    7.9950   -0.8908 H   0  0  0  0  0
    9.2855    9.2250   -1.9336 H   0  0  0  0  0
   11.3551    7.6381   -0.2227 H   0  0  0  0  0
   11.1776    9.4491   -0.3075 H   0  0  0  0  0
   11.6087    9.3640   -2.7923 H   0  0  0  0  0
   11.7858    7.5563   -2.6947 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 11  1  0  0  0
  3  4  2  0  0  0
  4  5  1  0  0  0
  5 10  1  0  0  0
  5  6  2  0  0  0
  6  7  1  0  0  0
  6 26  1  0  0  0
  7  8  2  0  0  0
  7 27  1  0  0  0
  8  9  1  0  0  0
  8 28  1  0  0  0
  9 10  2  0  0  0
  9 12  1  0  0  0
 10 11  1  0  0  0
 12 13  1  0  0  0
 12 29  1  0  0  0
 12 30  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
 16 18  1  0  0  0
 16 17  2  0  0  0
 18 20  1  0  0  0
 18 19  1  0  0  0
 18 36  1  0  0  0
 19 20  1  0  0  0
 19 37  1  0  0  0
 19 38  1  0  0  0
 20 39  1  0  0  0
 20 40  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL125642

>  <PubChem CID>
44348996

>  <Formula>
C16H20N2O2

>  <Molecular Weight>
272.348000

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

>  <XlogP>
3.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CCC1=NC2=CC=CC(=C2O1)CCCNC(=O)C3CC3

>  <Isomeric SMILES>
CCC1=NC2=CC=CC(=C2O1)CCCNC(=O)C3CC3

>  <InChI Std. ID>
InChI=1S/C16H20N2O2/c1-2-14-18-13-7-3-5-11(15(13)20-14)6-4-10-17-16(19)12-8-9-12/h3,5,7,12H,2,4,6,8-10H2,1H3,(H,17,19)

>  <InChI Key>
CWDUPBUCCVAMPX-UHFFFAOYSA-N

