
 MLS000057767

 31 33  0  0  0  0  0  0  0  0999 V2000
   -1.7224   -0.2636   -0.3529 C   0  0  0  0  0
   -0.8489   -0.8563   -1.2617 C   0  0  0  0  0
    0.5252   -0.8629   -1.0083 C   0  0  0  0  0
    1.0433   -0.2780    0.1585 C   0  0  0  0  0
    0.1500    0.3165    1.0623 C   0  0  0  0  0
   -1.2244    0.3236    0.8084 C   0  0  0  0  0
    2.4715   -0.2833    0.4456 C   0  0  0  0  0
    3.1420    0.1948    1.4766 N   0  0  0  0  0
    4.4739   -0.0979    1.2450 N   0  0  0  0  0
    4.5173   -0.7264    0.0904 C   0  0  0  0  0
    3.2889   -0.8832   -0.4729 O   0  0  0  0  0
    5.6340   -1.2181   -0.5215 N   0  0  0  0  0
    5.5968   -1.8140   -1.7604 C   0  0  0  0  0
    4.6177   -1.9229   -2.4879 O   0  0  0  0  0
    6.9019   -2.3397   -2.2548 C   0  0  0  0  0
    7.1306   -2.3479   -3.6385 C   0  0  0  0  0
    8.3290   -2.8494   -4.1528 C   0  0  0  0  0
    9.2959   -3.3520   -3.2850 C   0  0  0  0  0
    9.0729   -3.3615   -1.9076 C   0  0  0  0  0
    7.8745   -2.8590   -1.3890 C   0  0  0  0  0
   10.7686   -3.9768   -3.9155 Cl  0  0  0  0  0
   -2.7915   -0.2598   -0.5499 H   0  0  0  0  0
   -1.2342   -1.3152   -2.1689 H   0  0  0  0  0
    1.1886   -1.3327   -1.7337 H   0  0  0  0  0
    0.5216    0.7789    1.9755 H   0  0  0  0  0
   -1.9049    0.7869    1.5184 H   0  0  0  0  0
    6.4968   -1.0554   -0.0270 H   0  0  0  0  0
    6.3724   -1.9665   -4.3212 H   0  0  0  0  0
    8.4955   -2.8507   -5.2272 H   0  0  0  0  0
    9.8230   -3.7716   -1.2353 H   0  0  0  0  0
    7.7081   -2.9165   -0.3169 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 22  1  0  0  0
  2  3  1  0  0  0
  2 23  1  0  0  0
  3  4  2  0  0  0
  3 24  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 25  1  0  0  0
  6 26  1  0  0  0
  7 11  1  0  0  0
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 17 18  2  0  0  0
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M  END

>  <Chemical Name>
MLS000057767

>  <PubChem CID>
805087

>  <Formula>
C15H10ClN3O2

>  <Molecular Weight>
299.714000

>  <IUPAC Name>
4-chloro-N-(5-phenyl-1,3,4-oxadiazol-2-yl)benzamide

>  <XlogP>
3.2

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
4

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)Cl

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=NN=C(O2)NC(=O)C3=CC=C(C=C3)Cl

>  <InChI Std. ID>
InChI=1S/C15H10ClN3O2/c16-12-8-6-10(7-9-12)13(20)17-15-19-18-14(21-15)11-4-2-1-3-5-11/h1-9H,(H,17,19,20)

>  <InChI Key>
YZLBFDGNVDNPIB-UHFFFAOYSA-N

