
 NSC162259

 31 32  0  0  0  0  0  0  0  0999 V2000
   -1.6917    0.9104   -0.2293 C   0  0  0  0  0
   -1.7144   -0.5710   -0.5891 C   0  0  0  0  0
   -0.6332   -1.4206    0.0770 C   0  0  0  0  0
    0.7585   -1.1674   -0.5022 C   0  0  0  0  0
    1.5381   -0.0099    0.1384 C   0  0  0  0  0
    0.7157    1.2291    0.5194 C   0  0  0  0  0
   -0.3646    1.6225   -0.4846 C   0  0  0  0  0
    2.2153   -0.4816    1.3373 N   0  0  0  0  0
    3.4231   -1.0912    1.3134 C   0  0  0  0  0
    4.2937   -1.1232    0.3630 N   0  0  0  0  0
    5.3597   -1.9782    0.8909 C   0  0  0  0  0
    5.0489   -2.1294    2.3602 C   0  0  0  0  0
    3.6903   -1.7387    2.4739 O   0  0  0  0  0
   -2.4713    1.4120   -0.8165 H   0  0  0  0  0
   -1.9790    1.0328    0.8225 H   0  0  0  0  0
   -1.6497   -0.6808   -1.6788 H   0  0  0  0  0
   -2.6944   -0.9727   -0.3021 H   0  0  0  0  0
   -0.6456   -1.2908    1.1649 H   0  0  0  0  0
   -0.8859   -2.4719   -0.1119 H   0  0  0  0  0
    1.3439   -2.0919   -0.4093 H   0  0  0  0  0
    0.6724   -0.9850   -1.5812 H   0  0  0  0  0
    2.2925    0.3152   -0.5905 H   0  0  0  0  0
    0.2673    1.1101    1.5149 H   0  0  0  0  0
    1.4162    2.0695    0.6214 H   0  0  0  0  0
   -0.5470    2.6992   -0.3744 H   0  0  0  0  0
   -0.0260    1.4696   -1.5156 H   0  0  0  0  0
    1.6271   -0.7567    2.1134 H   0  0  0  0  0
    5.3378   -2.9469    0.3795 H   0  0  0  0  0
    6.3467   -1.5330    0.7334 H   0  0  0  0  0
    5.6608   -1.4675    2.9817 H   0  0  0  0  0
    5.1777   -3.1592    2.7060 H   0  0  0  0  0
  1  7  1  0  0  0
  1  2  1  0  0  0
  1 14  1  0  0  0
  1 15  1  0  0  0
  2  3  1  0  0  0
  2 16  1  0  0  0
  2 17  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  5  1  0  0  0
  4 20  1  0  0  0
  4 21  1  0  0  0
  5  6  1  0  0  0
  5  8  1  0  0  0
  5 22  1  0  0  0
  6  7  1  0  0  0
  6 23  1  0  0  0
  6 24  1  0  0  0
  7 25  1  0  0  0
  7 26  1  0  0  0
  8  9  1  0  0  0
  8 27  1  0  0  0
  9 10  2  0  0  0
  9 13  1  0  0  0
 10 11  1  0  0  0
 11 12  1  0  0  0
 11 28  1  0  0  0
 11 29  1  0  0  0
 12 13  1  0  0  0
 12 30  1  0  0  0
 12 31  1  0  0  0
M  END

>  <Chemical Name>
NSC162259

>  <PubChem CID>
294234

>  <Formula>
C10H18N2O

>  <Molecular Weight>
182.267000

>  <IUPAC Name>
N-cycloheptyl-4,5-dihydro-1,3-oxazol-2-amine

>  <XlogP>
2.0

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
2

>  <Canonical SMILES>
C1CCCC(CC1)NC2=NCCO2

>  <Isomeric SMILES>
C1CCCC(CC1)NC2=NCCO2

>  <InChI Std. ID>
InChI=1S/C10H18N2O/c1-2-4-6-9(5-3-1)12-10-11-7-8-13-10/h9H,1-8H2,(H,11,12)

>  <InChI Key>
DAIRUBYTBODIKT-UHFFFAOYSA-N

