
 SMR000072988

 39 41  0  0  0  0  0  0  0  0999 V2000
    1.2154    1.6147    4.6921 C   0  0  0  0  0
    2.2299    2.0519    3.7175 C   0  0  0  0  0
    2.7037    3.2769    3.3216 C   0  0  0  0  0
    3.6876    2.9858    2.3514 C   0  0  0  0  0
    3.8183    1.6641    2.1904 N   0  0  0  0  0
    2.8834    1.0810    3.0233 O   0  0  0  0  0
    4.4765    3.8570    1.6363 N   0  0  0  0  0
    4.2310    5.2095    1.5003 C   0  0  0  0  0
    3.2341    5.7756    1.9451 O   0  0  0  0  0
    5.2341    5.9050    0.7321 C   0  0  0  0  0
    5.1639    7.0737   -0.0017 C   0  0  0  0  0
    6.4747    7.3439   -0.4622 C   0  0  0  0  0
    7.2821    6.3451    0.0431 C   0  0  0  0  0
    6.5144    5.4322    0.7104 O   0  0  0  0  0
    8.7577    6.1203   -0.0063 C   0  0  0  0  0
    9.2112    5.5316    1.2159 O   0  0  0  0  0
    9.1040    4.1783    1.3817 C   0  0  0  0  0
    9.2962    3.7335    2.6936 C   0  0  0  0  0
    9.1720    2.3758    3.0330 C   0  0  0  0  0
    8.8758    1.4590    2.0151 C   0  0  0  0  0
    8.6946    1.8956    0.7018 C   0  0  0  0  0
    8.8076    3.2505    0.3833 C   0  0  0  0  0
    8.7273   -0.2321    2.3313 Cl  0  0  0  0  0
    9.3783    1.9478    4.4574 C   0  0  0  0  0
    1.2345    2.2562    5.5799 H   0  0  0  0  0
    1.3946    0.5858    5.0175 H   0  0  0  0  0
    0.2159    1.6689    4.2528 H   0  0  0  0  0
    2.3956    4.2414    3.7015 H   0  0  0  0  0
    5.2266    3.4382    1.1042 H   0  0  0  0  0
    4.2699    7.6611   -0.1620 H   0  0  0  0  0
    6.8004    8.1905   -1.0537 H   0  0  0  0  0
    9.2496    7.0978   -0.0694 H   0  0  0  0  0
    9.0739    5.5690   -0.8943 H   0  0  0  0  0
    9.5272    4.4665    3.4644 H   0  0  0  0  0
    8.4607    1.1817   -0.0842 H   0  0  0  0  0
    8.6492    3.5399   -0.6493 H   0  0  0  0  0
    9.4397    2.8102    5.1293 H   0  0  0  0  0
   10.3106    1.3811    4.5504 H   0  0  0  0  0
    8.5400    1.3339    4.8039 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  3  2  0  0  0
  2  6  1  0  0  0
  3  4  1  0  0  0
  3 28  1  0  0  0
  4  5  2  0  0  0
  4  7  1  0  0  0
  5  6  1  0  0  0
  7  8  1  0  0  0
  7 29  1  0  0  0
  8 10  1  0  0  0
  8  9  2  0  0  0
 10 11  2  0  0  0
 10 14  1  0  0  0
 11 12  1  0  0  0
 11 30  1  0  0  0
 12 13  2  0  0  0
 12 31  1  0  0  0
 13 14  1  0  0  0
 13 15  1  0  0  0
 15 16  1  0  0  0
 15 32  1  0  0  0
 15 33  1  0  0  0
 16 17  1  0  0  0
 17 18  2  0  0  0
 17 22  1  0  0  0
 18 19  1  0  0  0
 18 34  1  0  0  0
 19 20  2  0  0  0
 19 24  1  0  0  0
 20 21  1  0  0  0
 20 23  1  0  0  0
 21 22  2  0  0  0
 21 35  1  0  0  0
 22 36  1  0  0  0
 24 37  1  0  0  0
 24 38  1  0  0  0
 24 39  1  0  0  0
M  END

>  <Chemical Name>
SMR000072988

>  <PubChem CID>
891889

>  <Formula>
C17H15ClN2O4

>  <Molecular Weight>
346.767000

>  <IUPAC Name>
5-[(4-chloro-3-methylphenoxy)methyl]-N-(5-methyl-1,2-oxazol-3-yl)furan-2-carboxamide

>  <XlogP>
3.8

>  <Hydrogen Bond Donors>
1

>  <Hydrogen Bond Acceptors>
5

>  <Canonical SMILES>
CC1=CC(=NO1)NC(=O)C2=CC=C(O2)COC3=CC(=C(C=C3)Cl)C

>  <Isomeric SMILES>
CC1=CC(=NO1)NC(=O)C2=CC=C(O2)COC3=CC(=C(C=C3)Cl)C

>  <InChI Std. ID>
InChI=1S/C17H15ClN2O4/c1-10-7-12(3-5-14(10)18)22-9-13-4-6-15(23-13)17(21)19-16-8-11(2)24-20-16/h3-8H,9H2,1-2H3,(H,19,20,21)

>  <InChI Key>
AAPGGKLFVOWVRS-UHFFFAOYSA-N

