
 SCHEMBL2296992

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.4472   -1.9094    3.5411 C   0  0  0  0  0
    2.9228   -1.9427    3.5374 C   0  0  0  0  0
    3.7267   -2.8800    4.0049 N   0  0  0  0  0
    4.9817   -2.3913    3.7425 C   0  0  0  0  0
    4.8732   -1.1634    3.1065 C   0  0  0  0  0
    3.5531   -0.8592    2.9756 O   0  0  0  0  0
    5.9581   -0.4448    2.7157 C   0  0  0  0  0
    7.2330   -0.9670    3.0226 C   0  0  0  0  0
    8.3083   -0.0221    2.6081 C   0  0  0  0  0
    7.5058    1.2878    2.3550 C   0  0  0  0  0
    6.0200    0.8828    2.0413 C   0  0  0  0  0
    5.8098    0.8048    0.5215 C   0  0  0  0  0
    4.3865    0.4620    0.0801 C   0  0  0  0  0
    3.3902    1.3619    0.6225 N   0  0  0  0  0
    3.2040    2.6293    0.1241 C   0  0  0  0  0
    3.8399    3.0970   -0.8145 O   0  0  0  0  0
    2.1639    3.4244    0.8652 C   0  0  0  0  0
    7.4278   -2.1935    3.6538 C   0  0  0  0  0
    6.2661   -2.9142    4.0088 C   0  0  0  0  0
    1.0414   -2.8243    3.9825 H   0  0  0  0  0
    1.0858   -1.0574    4.1241 H   0  0  0  0  0
    1.0638   -1.8216    2.5203 H   0  0  0  0  0
    9.0633    0.1120    3.3873 H   0  0  0  0  0
    8.7740   -0.3811    1.6851 H   0  0  0  0  0
    7.9640    1.9073    1.5771 H   0  0  0  0  0
    7.5127    1.8800    3.2810 H   0  0  0  0  0
    5.3359    1.5980    2.5099 H   0  0  0  0  0
    6.4915    0.0666    0.0792 H   0  0  0  0  0
    6.0835    1.7749    0.0871 H   0  0  0  0  0
    4.1113   -0.5546    0.3734 H   0  0  0  0  0
    4.3299    0.5089   -1.0137 H   0  0  0  0  0
    2.9240    1.0847    1.4783 H   0  0  0  0  0
    2.6296    3.9225    1.7196 H   0  0  0  0  0
    1.3547    2.7766    1.2148 H   0  0  0  0  0
    1.7351    4.1738    0.1941 H   0  0  0  0  0
    8.4212   -2.5720    3.8686 H   0  0  0  0  0
    6.3527   -3.8759    4.5052 H   0  0  0  0  0
  1  2  1  0  0  0
  1 20  1  0  0  0
  1 21  1  0  0  0
  1 22  1  0  0  0
  2  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  4 19  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 18  1  0  0  0
  9 10  1  0  0  0
  9 23  1  0  0  0
  9 24  1  0  0  0
 10 11  1  0  0  0
 10 25  1  0  0  0
 10 26  1  0  0  0
 11 12  1  0  0  0
 11 27  1  0  0  0
 12 13  1  0  0  0
 12 28  1  0  0  0
 12 29  1  0  0  0
 13 14  1  0  0  0
 13 30  1  0  0  0
 13 31  1  0  0  0
 14 15  1  0  0  0
 14 32  1  0  0  0
 15 17  1  0  0  0
 15 16  2  0  0  0
 17 33  1  0  0  0
 17 34  1  0  0  0
 17 35  1  0  0  0
 18 19  2  0  0  0
 18 36  1  0  0  0
 19 37  1  0  0  0
M  END

>  <Chemical Name>
SCHEMBL2296992

>  <PubChem CID>
57781216

>  <Formula>
C15H18N2O2

>  <Molecular Weight>
258.321000

>  <IUPAC Name>
N-[2-[(8S)-2-methyl-7,8-dihydro-6H-cyclopenta[g][1,3]benzoxazol-8-yl]ethyl]acetamide

>  <XlogP>
2.5

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
3

>  <Canonical SMILES>
CC1=NC2=C(O1)C3=C(CCC3CCNC(=O)C)C=C2

>  <Isomeric SMILES>
CC1=NC2=C(O1)C3=C(CC[C@H]3CCNC(=O)C)C=C2

>  <InChI Std. ID>
InChI=1S/C15H18N2O2/c1-9(18)16-8-7-12-4-3-11-5-6-13-15(14(11)12)19-10(2)17-13/h5-6,12H,3-4,7-8H2,1-2H3,(H,16,18)/t12-/m0/s1

>  <InChI Key>
CCRUCMHMQXUZAT-LBPRGKRZSA-N

