
 JNJ-10392980

 47 50  0  0  0  0  0  0  0  0999 V2000
    0.7231    1.1456    0.1125 C   0  0  0  0  0
   -0.1190    1.7254    1.2454 C   0  0  0  0  0
   -1.4300    0.9521    1.4315 C   0  0  0  0  0
   -1.2515   -0.5039    1.5813 N   0  0  0  0  0
   -0.4909   -1.0341    0.4409 C   0  0  0  0  0
    0.8711   -0.3666    0.2477 C   0  0  0  0  0
   -0.6836   -0.8356    2.9026 C   0  0  0  0  0
   -0.5031   -2.3362    3.1850 C   0  0  0  0  0
   -0.0609   -2.4799    4.5390 O   0  0  0  0  0
    0.3580   -3.7206    4.9295 C   0  0  0  0  0
    0.8005   -3.7971    6.2515 C   0  0  0  0  0
    1.2568   -5.0060    6.7887 C   0  0  0  0  0
    1.2906   -6.1521    5.9973 C   0  0  0  0  0
    0.8442   -6.0758    4.6739 C   0  0  0  0  0
    0.3751   -4.8695    4.1417 C   0  0  0  0  0
    1.6648   -7.4066    6.4070 O   0  0  0  0  0
    2.2844   -7.6697    7.5489 C   0  0  0  0  0
    2.9491   -6.8656    8.3534 N   0  0  0  0  0
    3.3372   -7.6989    9.3715 C   0  0  0  0  0
    4.0522   -7.4455   10.5495 C   0  0  0  0  0
    4.2871   -8.5184   11.4240 C   0  0  0  0  0
    3.8273   -9.8087   11.1291 C   0  0  0  0  0
    3.1180  -10.0792    9.9526 C   0  0  0  0  0
    2.9019   -8.9901    9.1176 C   0  0  0  0  0
    2.2338   -8.9800    7.9289 O   0  0  0  0  0
    0.2439    1.3761   -0.8469 H   0  0  0  0  0
    1.7109    1.6192    0.0979 H   0  0  0  0  0
   -0.3417    2.7772    1.0322 H   0  0  0  0  0
    0.4615    1.7140    2.1752 H   0  0  0  0  0
   -1.9808    1.3580    2.2891 H   0  0  0  0  0
   -2.0741    1.1328    0.5607 H   0  0  0  0  0
   -0.3715   -2.1198    0.5158 H   0  0  0  0  0
   -1.0888   -0.8856   -0.4687 H   0  0  0  0  0
    1.5327   -0.6023    1.0897 H   0  0  0  0  0
    1.3524   -0.7684   -0.6514 H   0  0  0  0  0
   -1.3495   -0.4359    3.6795 H   0  0  0  0  0
    0.2815   -0.3423    3.0685 H   0  0  0  0  0
    0.2540   -2.7407    2.5053 H   0  0  0  0  0
   -1.4558   -2.8631    3.0536 H   0  0  0  0  0
    0.7836   -2.9076    6.8769 H   0  0  0  0  0
    1.5667   -5.0162    7.8287 H   0  0  0  0  0
    0.8497   -6.9670    4.0505 H   0  0  0  0  0
    0.0277   -4.8688    3.1145 H   0  0  0  0  0
    4.4054   -6.4461   10.7768 H   0  0  0  0  0
    4.8347   -8.3423   12.3481 H   0  0  0  0  0
    4.0237  -10.6189   11.8295 H   0  0  0  0  0
    2.7525  -11.0684    9.7078 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  3  1  0  0  0
  2 28  1  0  0  0
  2 29  1  0  0  0
  3  4  1  0  0  0
  3 30  1  0  0  0
  3 31  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  5 32  1  0  0  0
  5 33  1  0  0  0
  6 34  1  0  0  0
  6 35  1  0  0  0
  7  8  1  0  0  0
  7 36  1  0  0  0
  7 37  1  0  0  0
  8  9  1  0  0  0
  8 38  1  0  0  0
  8 39  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 15  1  0  0  0
 11 12  1  0  0  0
 11 40  1  0  0  0
 12 13  2  0  0  0
 12 41  1  0  0  0
 13 14  1  0  0  0
 13 16  1  0  0  0
 14 15  2  0  0  0
 14 42  1  0  0  0
 15 43  1  0  0  0
 16 17  1  0  0  0
 17 25  1  0  0  0
 17 18  2  0  0  0
 18 19  1  0  0  0
 19 24  1  0  0  0
 19 20  2  0  0  0
 20 21  1  0  0  0
 20 44  1  0  0  0
 21 22  2  0  0  0
 21 45  1  0  0  0
 22 23  1  0  0  0
 22 46  1  0  0  0
 23 24  2  0  0  0
 23 47  1  0  0  0
 24 25  1  0  0  0
M  END

>  <Chemical Name>
JNJ-10392980

>  <PubChem CID>
11739248

>  <Formula>
C20H22N2O3

>  <Molecular Weight>
338.407000

>  <IUPAC Name>
2-[4-(2-piperidin-1-ylethoxy)phenoxy]-1,3-benzoxazole

>  <XlogP>
4.5

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1CCN(CC1)CCOC2=CC=C(C=C2)OC3=NC4=CC=CC=C4O3

>  <Isomeric SMILES>
C1CCN(CC1)CCOC2=CC=C(C=C2)OC3=NC4=CC=CC=C4O3

>  <InChI Std. ID>
InChI=1S/C20H22N2O3/c1-4-12-22(13-5-1)14-15-23-16-8-10-17(11-9-16)24-20-21-18-6-2-3-7-19(18)25-20/h2-3,6-11H,1,4-5,12-15H2

>  <InChI Key>
ZIQGASWXUSSORV-UHFFFAOYSA-N

