
 SMR000062829

 41 43  0  0  0  0  0  0  0  0999 V2000
    4.4749    4.9419    1.1779 C   0  0  0  0  0
    4.4521    3.7903    0.2556 C   0  0  0  0  0
    3.6933    2.6420    0.1743 C   0  0  0  0  0
    4.1970    1.9920   -0.9861 C   0  0  0  0  0
    5.1978    2.6850   -1.5414 N   0  0  0  0  0
    5.3511    3.8143   -0.7622 O   0  0  0  0  0
    3.7546    0.7154   -1.5943 C   0  0  0  0  0
    2.5949    2.2054    1.0727 C   0  0  0  0  0
    1.3235    2.6422    0.5740 O   0  0  0  0  0
    0.8143    3.7571    1.1516 C   0  0  0  0  0
    1.2552    4.3547    2.1155 O   0  0  0  0  0
   -0.3564    4.1698    0.3520 C   0  0  0  0  0
   -1.3741    3.2398    0.0946 C   0  0  0  0  0
   -2.4500    3.5925   -0.7197 C   0  0  0  0  0
   -2.4983    4.8611   -1.2957 C   0  0  0  0  0
   -1.4868    5.7890   -1.0369 C   0  0  0  0  0
   -0.4306    5.4638   -0.1755 C   0  0  0  0  0
    0.5955    6.3451    0.0826 O   0  0  0  0  0
    0.2915    7.6637    0.3431 C   0  0  0  0  0
    1.2340    8.6042   -0.0768 C   0  0  0  0  0
    1.0136    9.9648    0.1443 C   0  0  0  0  0
   -0.1466   10.3865    0.7930 C   0  0  0  0  0
   -1.0745    9.4475    1.2424 C   0  0  0  0  0
   -0.8484    8.0850    1.0349 C   0  0  0  0  0
    5.2754    5.6428    0.9204 H   0  0  0  0  0
    4.6375    4.6052    2.2060 H   0  0  0  0  0
    3.5275    5.4863    1.1354 H   0  0  0  0  0
    4.2179    0.5531   -2.5734 H   0  0  0  0  0
    2.6689    0.7118   -1.7337 H   0  0  0  0  0
    4.0235   -0.1263   -0.9487 H   0  0  0  0  0
    2.7710    2.5312    2.1046 H   0  0  0  0  0
    2.5592    1.1104    1.1060 H   0  0  0  0  0
   -1.3266    2.2395    0.5194 H   0  0  0  0  0
   -3.2398    2.8731   -0.9219 H   0  0  0  0  0
   -3.3211    5.1284   -1.9552 H   0  0  0  0  0
   -1.5278    6.7643   -1.5167 H   0  0  0  0  0
    2.1400    8.2771   -0.5801 H   0  0  0  0  0
    1.7470   10.6946   -0.1885 H   0  0  0  0  0
   -0.3220   11.4465    0.9589 H   0  0  0  0  0
   -1.9720    9.7754    1.7608 H   0  0  0  0  0
   -1.5686    7.3672    1.4163 H   0  0  0  0  0
  1  2  1  0  0  0
  1 25  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3  8  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  7 28  1  0  0  0
  7 29  1  0  0  0
  7 30  1  0  0  0
  8  9  1  0  0  0
  8 31  1  0  0  0
  8 32  1  0  0  0
  9 10  1  0  0  0
 10 12  1  0  0  0
 10 11  2  0  0  0
 12 13  2  0  0  0
 12 17  1  0  0  0
 13 14  1  0  0  0
 13 33  1  0  0  0
 14 15  2  0  0  0
 14 34  1  0  0  0
 15 16  1  0  0  0
 15 35  1  0  0  0
 16 17  2  0  0  0
 16 36  1  0  0  0
 17 18  1  0  0  0
 18 19  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 37  1  0  0  0
 21 22  2  0  0  0
 21 38  1  0  0  0
 22 23  1  0  0  0
 22 39  1  0  0  0
 23 24  2  0  0  0
 23 40  1  0  0  0
 24 41  1  0  0  0
M  END

>  <Chemical Name>
SMR000062829

>  <PubChem CID>
2433078

>  <Formula>
C19H17NO4

>  <Molecular Weight>
323.348000

>  <IUPAC Name>
(3,5-dimethyl-1,2-oxazol-4-yl)methyl 2-phenoxybenzoate

>  <XlogP>
4.0

>  <Hydrogen Bond Donors>
0

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2OC3=CC=CC=C3

>  <Isomeric SMILES>
CC1=C(C(=NO1)C)COC(=O)C2=CC=CC=C2OC3=CC=CC=C3

>  <InChI Std. ID>
InChI=1S/C19H17NO4/c1-13-17(14(2)24-20-13)12-22-19(21)16-10-6-7-11-18(16)23-15-8-4-3-5-9-15/h3-11H,12H2,1-2H3

>  <InChI Key>
ACJBGFNEOYPDET-UHFFFAOYSA-N

