
 SCHEMBL2296995

 37 39  0  0  0  0  0  0  0  0999 V2000
    1.4315   -0.7151    0.3696 C   0  0  0  0  0
    2.8844   -0.9203    0.5305 C   0  0  0  0  0
    3.5445   -2.0436    0.7560 N   0  0  0  0  0
    4.8566   -1.6439    0.7940 C   0  0  0  0  0
    4.9254   -0.2765    0.5837 C   0  0  0  0  0
    3.6655    0.2014    0.4175 O   0  0  0  0  0
    6.1023    0.3984    0.5358 C   0  0  0  0  0
    7.2897   -0.3331    0.7306 C   0  0  0  0  0
    8.4851    0.5503    0.6392 C   0  0  0  0  0
    7.8596    1.9779    0.5975 C   0  0  0  0  0
    6.3306    1.8436    0.2824 C   0  0  0  0  0
    5.9317    2.3080   -1.1272 C   0  0  0  0  0
    6.6725    1.6762   -2.3120 C   0  0  0  0  0
    6.3420    0.2853   -2.5383 N   0  0  0  0  0
    5.1905   -0.0954   -3.1902 C   0  0  0  0  0
    4.3892    0.6906   -3.6831 O   0  0  0  0  0
    4.9923   -1.5869   -3.2335 C   0  0  0  0  0
    7.3092   -1.7089    0.9545 C   0  0  0  0  0
    6.0571   -2.3653    0.9805 C   0  0  0  0  0
    0.8802   -1.6151    0.6567 H   0  0  0  0  0
    1.1940   -0.4834   -0.6729 H   0  0  0  0  0
    1.0867    0.1122    0.9970 H   0  0  0  0  0
    9.1463    0.4272    1.5015 H   0  0  0  0  0
    9.0301    0.3364   -0.2856 H   0  0  0  0  0
    8.3911    2.6385   -0.0952 H   0  0  0  0  0
    7.9684    2.4274    1.5943 H   0  0  0  0  0
    5.7644    2.4283    1.0186 H   0  0  0  0  0
    6.1051    3.3912   -1.1741 H   0  0  0  0  0
    4.8516    2.1668   -1.2605 H   0  0  0  0  0
    7.7571    1.7401   -2.1874 H   0  0  0  0  0
    6.4162    2.2332   -3.2209 H   0  0  0  0  0
    6.8424   -0.4178   -2.0087 H   0  0  0  0  0
    4.5316   -1.9229   -2.3022 H   0  0  0  0  0
    5.9481   -2.0997   -3.3758 H   0  0  0  0  0
    4.3400   -1.8424   -4.0729 H   0  0  0  0  0
    8.2381   -2.2504    1.0979 H   0  0  0  0  0
    6.0069   -3.4378    1.1426 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>
SCHEMBL2296995

>  <PubChem CID>
23725565

>  <Formula>
C15H18N2O2

>  <Molecular Weight>
258.321000

>  <IUPAC Name>
N-[2-(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(CCC3CCNC(=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)

>  <InChI Key>
CCRUCMHMQXUZAT-UHFFFAOYSA-N

