
 CHEMBL3600993

 44 46  0  0  0  0  0  0  0  0999 V2000
    5.5112   -0.2192    2.3061 C   0  0  0  0  0
    5.3072   -0.5168    0.8780 C   0  0  0  0  0
    4.3664   -0.1522   -0.0623 C   0  0  0  0  0
    4.6964   -0.7126   -1.2794 N   0  0  0  0  0
    5.8063   -1.3862   -1.0388 C   0  0  0  0  0
    6.2307   -1.3138    0.2631 O   0  0  0  0  0
    6.6383   -2.1492   -1.9653 C   0  0  0  0  0
    6.2340   -2.2899   -3.3020 C   0  0  0  0  0
    7.0183   -2.9951   -4.2181 C   0  0  0  0  0
    8.2196   -3.5689   -3.8084 C   0  0  0  0  0
    8.6354   -3.4408   -2.4846 C   0  0  0  0  0
    7.8491   -2.7363   -1.5683 C   0  0  0  0  0
    3.1991    0.7620    0.0779 C   0  0  0  0  0
    2.4530    0.4909    1.2711 O   0  0  0  0  0
    1.6992    1.5299    1.7456 C   0  0  0  0  0
    1.3791    1.4623    3.1020 C   0  0  0  0  0
    0.6744    2.5001    3.7168 C   0  0  0  0  0
    0.2760    3.6185    2.9762 C   0  0  0  0  0
    0.5453    3.6524    1.6025 C   0  0  0  0  0
    1.2468    2.6106    0.9886 C   0  0  0  0  0
   -0.4309    4.7711    3.6435 C   0  0  0  0  0
   -1.9470    4.6676    3.5292 C   0  0  0  0  0
   -2.5978    5.8783    4.1353 C   0  0  0  0  0
   -2.1342    6.6160    4.9905 O   0  0  0  0  0
   -3.8361    6.0880    3.6497 O   0  0  0  0  0
    6.5300   -0.4661    2.6210 H   0  0  0  0  0
    4.8140   -0.7966    2.9203 H   0  0  0  0  0
    5.3469    0.8443    2.5057 H   0  0  0  0  0
    5.2989   -1.8426   -3.6360 H   0  0  0  0  0
    6.6907   -3.0925   -5.2498 H   0  0  0  0  0
    8.8324   -4.1149   -4.5211 H   0  0  0  0  0
    9.5736   -3.8864   -2.1638 H   0  0  0  0  0
    8.1952   -2.6446   -0.5409 H   0  0  0  0  0
    2.5350    0.6430   -0.7862 H   0  0  0  0  0
    3.5982    1.7849    0.0871 H   0  0  0  0  0
    1.7009    0.6071    3.6910 H   0  0  0  0  0
    0.4581    2.4363    4.7808 H   0  0  0  0  0
    0.2227    4.4993    1.0004 H   0  0  0  0  0
    1.4279    2.6754   -0.0796 H   0  0  0  0  0
   -0.0797    5.7114    3.1975 H   0  0  0  0  0
   -0.1313    4.8217    4.6985 H   0  0  0  0  0
   -2.3215    3.7770    4.0455 H   0  0  0  0  0
   -2.2383    4.6034    2.4741 H   0  0  0  0  0
   -4.1499    6.8859    4.1249 H   0  0  0  0  0
  1  2  1  0  0  0
  1 26  1  0  0  0
  1 27  1  0  0  0
  1 28  1  0  0  0
  2  6  1  0  0  0
  2  3  2  0  0  0
  3  4  1  0  0  0
  3 13  1  0  0  0
  4  5  2  0  0  0
  5  6  1  0  0  0
  5  7  1  0  0  0
  7  8  2  0  0  0
  7 12  1  0  0  0
  8  9  1  0  0  0
  8 29  1  0  0  0
  9 10  2  0  0  0
  9 30  1  0  0  0
 10 11  1  0  0  0
 10 31  1  0  0  0
 11 12  2  0  0  0
 11 32  1  0  0  0
 12 33  1  0  0  0
 13 14  1  0  0  0
 13 34  1  0  0  0
 13 35  1  0  0  0
 14 15  1  0  0  0
 15 16  2  0  0  0
 15 20  1  0  0  0
 16 17  1  0  0  0
 16 36  1  0  0  0
 17 18  2  0  0  0
 17 37  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 38  1  0  0  0
 20 39  1  0  0  0
 21 22  1  0  0  0
 21 40  1  0  0  0
 21 41  1  0  0  0
 22 23  1  0  0  0
 22 42  1  0  0  0
 22 43  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 44  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3600993

>  <PubChem CID>
86803224

>  <Formula>
C20H19NO4

>  <Molecular Weight>
337.375000

>  <IUPAC Name>
3-[4-[(5-methyl-2-phenyl-1,3-oxazol-4-yl)methoxy]phenyl]propanoic acid

>  <XlogP>
3.7

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=C(N=C(O1)C2=CC=CC=C2)COC3=CC=C(C=C3)CCC(=O)O

>  <Isomeric SMILES>
CC1=C(N=C(O1)C2=CC=CC=C2)COC3=CC=C(C=C3)CCC(=O)O

>  <InChI Std. ID>
InChI=1S/C20H19NO4/c1-14-18(21-20(25-14)16-5-3-2-4-6-16)13-24-17-10-7-15(8-11-17)9-12-19(22)23/h2-8,10-11H,9,12-13H2,1H3,(H,22,23)

>  <InChI Key>
BVILYIQBHXIHEN-UHFFFAOYSA-N

