
 CHEMBL1178347

 26 27  0  0  0  0  0  0  0  0999 V2000
    2.6934    0.1621   -1.8163 C   0  0  0  0  0
    2.6298    1.4654   -1.2517 O   0  0  0  0  0
    3.2293    1.5362    0.0532 C   0  0  0  0  0
    4.7161    1.4187    0.0564 C   0  0  0  0  0
    5.5320    2.4813    0.0189 N   0  0  0  0  0
    6.8050    1.9116    0.0358 O   0  0  0  0  0
    6.6252    0.5598    0.0875 C   0  0  0  0  0
    5.3602    0.2024    0.1084 N   0  0  0  0  0
    7.8507   -0.2741    0.1048 C   0  0  0  0  0
    7.5886   -1.6522   -0.4994 C   0  0  0  0  0
    8.7979   -2.4426   -0.3878 N   0  0  0  0  0
    9.5987   -2.2884    0.7046 C   0  0  0  0  0
    9.5039   -1.4011    1.6256 N   0  0  0  0  0
    8.3662   -0.4670    1.5331 C   0  0  0  0  0
    2.0978    0.1596   -2.7333 H   0  0  0  0  0
    2.2775   -0.5828   -1.1312 H   0  0  0  0  0
    3.7224   -0.0964   -2.0808 H   0  0  0  0  0
    2.7846    0.7710    0.7006 H   0  0  0  0  0
    2.9431    2.5063    0.4754 H   0  0  0  0  0
    8.6316    0.2241   -0.4864 H   0  0  0  0  0
    7.3048   -1.5667   -1.5545 H   0  0  0  0  0
    6.7716   -2.1711    0.0174 H   0  0  0  0  0
    8.8016   -3.3438   -0.8537 H   0  0  0  0  0
   10.4154   -3.0294    0.7396 H   0  0  0  0  0
    7.5692   -0.8280    2.1960 H   0  0  0  0  0
    8.6894    0.5003    1.9370 H   0  0  0  0  0
  1  2  1  0  0  0
  1 15  1  0  0  0
  1 16  1  0  0  0
  1 17  1  0  0  0
  2  3  1  0  0  0
  3  4  1  0  0  0
  3 18  1  0  0  0
  3 19  1  0  0  0
  4  8  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  6  7  1  0  0  0
  7  8  2  0  0  0
  7  9  1  0  0  0
  9 10  1  0  0  0
  9 14  1  0  0  0
  9 20  1  0  0  0
 10 11  1  0  0  0
 10 21  1  0  0  0
 10 22  1  0  0  0
 11 12  1  0  0  0
 11 23  1  0  0  0
 12 13  2  0  0  0
 12 24  1  0  0  0
 13 14  1  0  0  0
 14 25  1  0  0  0
 14 26  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL1178347

>  <PubChem CID>
10703031

>  <Formula>
C8H12N4O2

>  <Molecular Weight>
196.210000

>  <IUPAC Name>
3-(methoxymethyl)-5-(1,4,5,6-tetrahydropyrimidin-5-yl)-1,2,4-oxadiazole

>  <XlogP>
-1.1

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
COCC1=NOC(=N1)C2CNC=NC2

>  <Isomeric SMILES>
COCC1=NOC(=N1)C2CNC=NC2

>  <InChI Std. ID>
InChI=1S/C8H12N4O2/c1-13-4-7-11-8(14-12-7)6-2-9-5-10-3-6/h5-6H,2-4H2,1H3,(H,9,10)

>  <InChI Key>
BXAWVPFKZADADI-UHFFFAOYSA-N

