
 CHEMBL3600998

 41 43  0  0  0  0  0  0  0  0999 V2000
    0.5826   -4.3221    4.3354 C   0  0  0  0  0
    1.8775   -4.6261    3.9228 C   0  0  0  0  0
    2.5030   -3.8451    2.9470 C   0  0  0  0  0
    1.8449   -2.7483    2.3716 C   0  0  0  0  0
    0.5365   -2.4623    2.7920 C   0  0  0  0  0
   -0.0893   -3.2422    3.7685 C   0  0  0  0  0
    2.4977   -1.9148    1.3715 C   0  0  0  0  0
    2.1272   -0.8423    0.5897 C   0  0  0  0  0
    3.1830   -0.4172   -0.1750 N   0  0  0  0  0
    4.1622   -1.2384    0.1587 C   0  0  0  0  0
    3.8184   -2.1705    1.1014 O   0  0  0  0  0
    5.5873   -1.1804   -0.2756 C   0  0  0  0  0
    6.1238   -2.5023   -0.3560 O   0  0  0  0  0
    7.4418   -2.5897   -0.7250 C   0  0  0  0  0
    8.2813   -1.5089   -0.9993 C   0  0  0  0  0
    9.6116   -1.7235   -1.3730 C   0  0  0  0  0
   10.1304   -3.0190   -1.4791 C   0  0  0  0  0
    9.2833   -4.1012   -1.2103 C   0  0  0  0  0
    7.9524   -3.8834   -0.8280 C   0  0  0  0  0
   11.5611   -3.2180   -1.9255 C   0  0  0  0  0
   12.4399   -3.9815   -0.9418 C   0  0  0  0  0
   12.6184   -3.2285    0.3455 C   0  0  0  0  0
   13.0423   -2.0919    0.4689 O   0  0  0  0  0
   12.2882   -3.9648    1.4260 O   0  0  0  0  0
    0.0982   -4.9262    5.0985 H   0  0  0  0  0
    2.4054   -5.4692    4.3609 H   0  0  0  0  0
    3.5155   -4.1017    2.6418 H   0  0  0  0  0
   -0.0126   -1.6235    2.3719 H   0  0  0  0  0
   -1.1003   -3.0032    4.0882 H   0  0  0  0  0
    1.1666   -0.3484    0.5443 H   0  0  0  0  0
    6.1391   -0.5860    0.4611 H   0  0  0  0  0
    5.6290   -0.7012   -1.2615 H   0  0  0  0  0
    7.9421   -0.4808   -0.9420 H   0  0  0  0  0
   10.2418   -0.8603   -1.5846 H   0  0  0  0  0
    9.6436   -5.1233   -1.2991 H   0  0  0  0  0
    7.3090   -4.7358   -0.6193 H   0  0  0  0  0
   12.0198   -2.2416   -2.1337 H   0  0  0  0  0
   11.5434   -3.7525   -2.8839 H   0  0  0  0  0
   13.4357   -4.1315   -1.3683 H   0  0  0  0  0
   12.0291   -4.9768   -0.7367 H   0  0  0  0  0
   12.4416   -3.3636    2.1850 H   0  0  0  0  0
  1  2  2  0  0  0
  1  6  1  0  0  0
  1 25  1  0  0  0
  2  3  1  0  0  0
  2 26  1  0  0  0
  3  4  2  0  0  0
  3 27  1  0  0  0
  4  5  1  0  0  0
  4  7  1  0  0  0
  5  6  2  0  0  0
  5 28  1  0  0  0
  6 29  1  0  0  0
  7  8  2  0  0  0
  7 11  1  0  0  0
  8  9  1  0  0  0
  8 30  1  0  0  0
  9 10  2  0  0  0
 10 11  1  0  0  0
 10 12  1  0  0  0
 12 13  1  0  0  0
 12 31  1  0  0  0
 12 32  1  0  0  0
 13 14  1  0  0  0
 14 15  2  0  0  0
 14 19  1  0  0  0
 15 16  1  0  0  0
 15 33  1  0  0  0
 16 17  2  0  0  0
 16 34  1  0  0  0
 17 18  1  0  0  0
 17 20  1  0  0  0
 18 19  2  0  0  0
 18 35  1  0  0  0
 19 36  1  0  0  0
 20 21  1  0  0  0
 20 37  1  0  0  0
 20 38  1  0  0  0
 21 22  1  0  0  0
 21 39  1  0  0  0
 21 40  1  0  0  0
 22 24  1  0  0  0
 22 23  2  0  0  0
 24 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3600998

>  <PubChem CID>
86803191

>  <Formula>
C19H17NO4

>  <Molecular Weight>
323.348000

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

>  <XlogP>
3.3

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC=C(C=C1)C2=CN=C(O2)COC3=CC=C(C=C3)CCC(=O)O

>  <Isomeric SMILES>
C1=CC=C(C=C1)C2=CN=C(O2)COC3=CC=C(C=C3)CCC(=O)O

>  <InChI Std. ID>
InChI=1S/C19H17NO4/c21-19(22)11-8-14-6-9-16(10-7-14)23-13-18-20-12-17(24-18)15-4-2-1-3-5-15/h1-7,9-10,12H,8,11,13H2,(H,21,22)

>  <InChI Key>
ASGGTPSYLCAVFD-UHFFFAOYSA-N

