52907909
  -OEChem-05082415282D

 50 52  0     0  0  0  0  0  0999 V2000
    2.8660   -5.1465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -5.1465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4641   -0.6465    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.0981    2.3924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2846    4.2194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.6465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.6465    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.4071    1.4413    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6859    3.2014    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -1.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5981   -2.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -4.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -0.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981    0.8535    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -6.1465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7891    1.4413    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0981    2.3924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0000   -6.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2791    4.1149    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8669    4.9239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8614    4.8194    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4602    5.8375    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4492    5.6284    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0480    6.6465    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0425    6.5420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2690   -1.3365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -1.5639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -2.2542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2087   -2.2542    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8101   -1.5639    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2554   -3.0388    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6540   -3.7291    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    3.1994    1.2497    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.3025    3.1366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1136    4.2530    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8436    5.9023    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0658    5.5636    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    7.4069    7.0436    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 15  1  0  0  0  0
  1 18  1  0  0  0  0
  2 15  2  0  0  0  0
  3 16  2  0  0  0  0
  4 19  1  0  0  0  0
  4 20  1  0  0  0  0
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  6 14  1  0  0  0  0
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  7 38  1  0  0  0  0
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 23 24  2  0  0  0  0
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 25 27  2  0  0  0  0
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 26 28  2  0  0  0  0
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 27 28  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
52907909

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
559

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
2

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
6

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7uAAAAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAAABwAAAHgAQAAAADCjhngYznJPIFECoAy1y/ASCiCkvYiAJiIGdJMmOYD6M3TGdIWhqtyKYiacYiACOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
ethyl 4-[(2-benzamidooxazole-4-carbonyl)amino]piperidine-1-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
4-[[(2-benzamido-4-oxazolyl)-oxomethyl]amino]-1-piperidinecarboxylic acid ethyl ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
ethyl 4-[(2-benzamido-1,3-oxazole-4-carbonyl)amino]piperidine-1-carboxylate

> <PUBCHEM_IUPAC_NAME>
ethyl 4-[(2-benzamido-1,3-oxazole-4-carbonyl)amino]piperidine-1-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
ethyl 4-[(2-benzamido-1,3-oxazol-4-yl)carbonylamino]piperidine-1-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
4-[(2-benzamidooxazole-4-carbonyl)amino]piperidine-1-carboxylic acid ethyl ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C19H22N4O5/c1-2-27-19(26)23-10-8-14(9-11-23)20-17(25)15-12-28-18(21-15)22-16(24)13-6-4-3-5-7-13/h3-7,12,14H,2,8-11H2,1H3,(H,20,25)(H,21,22,24)

> <PUBCHEM_IUPAC_INCHIKEY>
ZAJWQYTXGATTLC-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
1.9

> <PUBCHEM_EXACT_MASS>
386.15901982

> <PUBCHEM_MOLECULAR_FORMULA>
C19H22N4O5

> <PUBCHEM_MOLECULAR_WEIGHT>
386.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CCOC(=O)N1CCC(CC1)NC(=O)C2=COC(=N2)NC(=O)C3=CC=CC=C3

> <PUBCHEM_OPENEYE_ISO_SMILES>
CCOC(=O)N1CCC(CC1)NC(=O)C2=COC(=N2)NC(=O)C3=CC=CC=C3

> <PUBCHEM_CACTVS_TPSA>
114

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
386.15901982

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
28

> <PUBCHEM_ATOM_DEF_STEREO_COUNT>
0

> <PUBCHEM_ATOM_UDEF_STEREO_COUNT>
0

> <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>
17  19  8
23  24  8
23  25  8
24  26  8
25  27  8
26  28  8
27  28  8
4  19  8
4  20  8
8  17  8
8  20  8

$$$$