
 CHEMBL3600994

 41 43  0  0  0  0  0  0  0  0999 V2000
    6.9037   -3.9931    5.1405 C   0  0  0  0  0
    6.9673   -2.7875    4.4356 C   0  0  0  0  0
    6.2911   -2.6319    3.2150 C   0  0  0  0  0
    5.5462   -3.7121    2.7174 C   0  0  0  0  0
    5.4866   -4.9134    3.4232 C   0  0  0  0  0
    6.1625   -5.0585    4.6321 C   0  0  0  0  0
    4.5697   -6.2280    2.7962 Cl  0  0  0  0  0
    6.3324   -1.3826    2.4603 C   0  0  0  0  0
    5.7077   -1.0691    1.3406 N   0  0  0  0  0
    6.0750    0.2400    1.1003 C   0  0  0  0  0
    6.9289    0.6584    2.0940 C   0  0  0  0  0
    7.1028   -0.3691    2.9699 O   0  0  0  0  0
    5.5024    0.9943   -0.0496 C   0  0  0  0  0
    6.1339    2.2665   -0.2288 O   0  0  0  0  0
    5.4554    3.1981   -0.9672 C   0  0  0  0  0
    4.2531    2.9952   -1.6437 C   0  0  0  0  0
    3.6298    4.0566   -2.3095 C   0  0  0  0  0
    4.2067    5.3318   -2.3233 C   0  0  0  0  0
    5.4329    5.5215   -1.6763 C   0  0  0  0  0
    6.0500    4.4611   -1.0063 C   0  0  0  0  0
    3.5010    6.4797   -3.0024 C   0  0  0  0  0
    4.2306    6.9675   -4.2527 C   0  0  0  0  0
    3.4341    8.0313   -4.9489 C   0  0  0  0  0
    2.4368    8.5997   -4.5389 O   0  0  0  0  0
    3.9560    8.3502   -6.1500 O   0  0  0  0  0
    7.4319   -4.0989    6.0850 H   0  0  0  0  0
    7.5492   -1.9667    4.8516 H   0  0  0  0  0
    5.0107   -3.6121    1.7749 H   0  0  0  0  0
    6.1152   -5.9954    5.1811 H   0  0  0  0  0
    7.4395    1.5828    2.3209 H   0  0  0  0  0
    4.4337    1.1115    0.1661 H   0  0  0  0  0
    5.6294    0.4069   -0.9665 H   0  0  0  0  0
    3.7585    2.0298   -1.6690 H   0  0  0  0  0
    2.6783    3.8783   -2.8067 H   0  0  0  0  0
    5.9104    6.4987   -1.6722 H   0  0  0  0  0
    6.9960    4.6280   -0.4965 H   0  0  0  0  0
    3.3891    7.2994   -2.2809 H   0  0  0  0  0
    2.4786    6.1793   -3.2669 H   0  0  0  0  0
    4.3793    6.1324   -4.9468 H   0  0  0  0  0
    5.2085    7.3870   -3.9909 H   0  0  0  0  0
    3.3551    9.0469   -6.4932 H   0  0  0  0  0
  1  6  1  0  0  0
  1  2  2  0  0  0
  1 26  1  0  0  0
  2  3  1  0  0  0
  2 27  1  0  0  0
  3  4  2  0  0  0
  3  8  1  0  0  0
  4  5  1  0  0  0
  4 28  1  0  0  0
  5  6  2  0  0  0
  5  7  1  0  0  0
  6 29  1  0  0  0
  8  9  2  0  0  0
  8 12  1  0  0  0
  9 10  1  0  0  0
 10 11  2  0  0  0
 10 13  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 13 14  1  0  0  0
 13 31  1  0  0  0
 13 32  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 33  1  0  0  0
 17 18  2  0  0  0
 17 34  1  0  0  0
 18 19  1  0  0  0
 18 21  1  0  0  0
 19 20  2  0  0  0
 19 35  1  0  0  0
 20 36  1  0  0  0
 21 22  1  0  0  0
 21 37  1  0  0  0
 21 38  1  0  0  0
 22 23  1  0  0  0
 22 39  1  0  0  0
 22 40  1  0  0  0
 23 25  1  0  0  0
 23 24  2  0  0  0
 25 41  1  0  0  0
M  END

>  <Chemical Name>
CHEMBL3600994

>  <PubChem CID>
122184685

>  <Formula>
C19H16ClNO4

>  <Molecular Weight>
357.790000

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

>  <XlogP>
3.9

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
C1=CC(=CC(=C1)Cl)C2=NC(=CO2)COC3=CC=C(C=C3)CCC(=O)O

>  <Isomeric SMILES>
C1=CC(=CC(=C1)Cl)C2=NC(=CO2)COC3=CC=C(C=C3)CCC(=O)O

>  <InChI Std. ID>
InChI=1S/C19H16ClNO4/c20-15-3-1-2-14(10-15)19-21-16(12-25-19)11-24-17-7-4-13(5-8-17)6-9-18(22)23/h1-5,7-8,10,12H,6,9,11H2,(H,22,23)

>  <InChI Key>
BHVFPYLGDVRHLH-UHFFFAOYSA-N

