68195458
  -OEChem-04262403382D

 50 52  0     1  0  0  0  0  0999 V2000
    7.0614    1.4932    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.3090    3.7112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0724    1.2842    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9527   -0.1623    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1437   -4.7501    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8913    3.0067    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3347   -0.1623    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3090    3.7112    0.0000 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6180    4.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8090    5.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000    4.6623    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8968    2.9022    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4791    2.1977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4736    2.3023    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0559    1.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6437    0.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6437    0.7888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1437   -0.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1437   -1.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2315    1.5978    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0097   -2.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2777   -2.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0097   -3.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2777   -3.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1437   -3.7501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2777   -5.2501    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0275    3.1588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1844    4.4101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9280    5.1992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2239    5.7108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3942    5.7108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6900    5.1992    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4336    4.4101    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3396    2.6304    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0677    2.3062    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1435    3.5732    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0309    2.5740    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3027    2.8982    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6132    1.8696    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8850    2.1938    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7331    1.2334    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5959    2.0994    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7299    1.9622    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5467   -1.9401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7408   -1.9401    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5467   -3.5601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7408   -3.5601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9677   -4.7132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7408   -5.5601    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5877   -5.7870    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 14  1  0  0  0  0
  1 15  1  0  0  0  0
  2  8  1  0  0  0  0
  2 11  1  0  0  0  0
  3 13  2  0  0  0  0
  4 17  1  0  0  0  0
  4 18  1  0  0  0  0
  5 25  1  0  0  0  0
  5 26  1  0  0  0  0
  6 12  1  0  0  0  0
  6 13  1  0  0  0  0
  6 36  1  0  0  0  0
  7 16  1  0  0  0  0
  7 18  2  0  0  0  0
  8  9  1  0  0  0  0
  8 12  1  0  0  0  0
  8 27  1  0  0  0  0
  9 10  1  0  0  0  0
  9 28  1  0  0  0  0
  9 29  1  0  0  0  0
 10 11  1  0  0  0  0
 10 30  1  0  0  0  0
 10 31  1  0  0  0  0
 11 32  1  0  0  0  0
 11 33  1  0  0  0  0
 12 34  1  0  0  0  0
 12 35  1  0  0  0  0
 13 14  1  0  0  0  0
 14 37  1  0  0  0  0
 14 38  1  0  0  0  0
 15 16  1  0  0  0  0
 15 39  1  0  0  0  0
 15 40  1  0  0  0  0
 16 17  2  0  0  0  0
 17 20  1  0  0  0  0
 18 19  1  0  0  0  0
 19 21  2  0  0  0  0
 19 22  1  0  0  0  0
 20 41  1  0  0  0  0
 20 42  1  0  0  0  0
 20 43  1  0  0  0  0
 21 23  1  0  0  0  0
 21 44  1  0  0  0  0
 22 24  2  0  0  0  0
 22 45  1  0  0  0  0
 23 25  2  0  0  0  0
 23 46  1  0  0  0  0
 24 25  1  0  0  0  0
 24 47  1  0  0  0  0
 26 48  1  0  0  0  0
 26 49  1  0  0  0  0
 26 50  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
68195458

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
445

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
1

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7OABAAAAAAAAAAAAAAAAAAWJAAAAwAAAAAAAAAAABwAAAHgQQAAAADBzl3gayhpLIFEioA6VyVASCiCAvYDAImKG/TNgOJrLktTuPOSjk1hH4qYeY/C7OIAAAAAAAAABAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
2-[[2-(4-methoxyphenyl)-5-methyl-oxazol-4-yl]methylsulfanyl]-N-(tetrahydrofuran-2-ylmethyl)acetamide

> <PUBCHEM_IUPAC_CAS_NAME>
2-[[2-(4-methoxyphenyl)-5-methyl-4-oxazolyl]methylthio]-N-(2-oxolanylmethyl)acetamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-<I>N</I>-(oxolan-2-ylmethyl)acetamide

> <PUBCHEM_IUPAC_NAME>
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(oxolan-2-ylmethyl)acetamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
2-[[2-(4-methoxyphenyl)-5-methyl-1,3-oxazol-4-yl]methylsulfanyl]-N-(oxolan-2-ylmethyl)ethanamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
2-[[2-(4-methoxyphenyl)-5-methyl-oxazol-4-yl]methylthio]-N-(tetrahydrofurfuryl)acetamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H24N2O4S/c1-13-17(11-26-12-18(22)20-10-16-4-3-9-24-16)21-19(25-13)14-5-7-15(23-2)8-6-14/h5-8,16H,3-4,9-12H2,1-2H3,(H,20,22)

> <PUBCHEM_IUPAC_INCHIKEY>
ZMBCCRDFMVUWGA-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
2.6

> <PUBCHEM_EXACT_MASS>
376.14567842

> <PUBCHEM_MOLECULAR_FORMULA>
C19H24N2O4S

> <PUBCHEM_MOLECULAR_WEIGHT>
376.5

> <PUBCHEM_OPENEYE_CAN_SMILES>
CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CSCC(=O)NCC3CCCO3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CC1=C(N=C(O1)C2=CC=C(C=C2)OC)CSCC(=O)NCC3CCCO3

> <PUBCHEM_CACTVS_TPSA>
98.9

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
376.14567842

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
26

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
1

> <PUBCHEM_BOND_DEF_STEREO_COUNT>
0

> <PUBCHEM_BOND_UDEF_STEREO_COUNT>
0

> <PUBCHEM_ISOTOPIC_ATOM_COUNT>
0

> <PUBCHEM_COMPONENT_COUNT>
1

> <PUBCHEM_CACTVS_TAUTO_COUNT>
-1

> <PUBCHEM_COORDINATE_TYPE>
1
5
255

> <PUBCHEM_BONDANNOTATIONS>
16  17  8
19  21  8
19  22  8
21  23  8
22  24  8
23  25  8
24  25  8
4  17  8
4  18  8
7  16  8
7  18  8
8  12  3

$$$$