53364513
  -OEChem-04182423122D

 32 34  0     0  0  0  0  0  0999 V2000
    2.0000   -2.9065    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    5.8550   -0.1513    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5013   -0.6893    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -2.7112    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.1441    1.0055    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1279   -1.9065    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.7654    2.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4333    2.1622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7870    2.7003    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1226    1.2117    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4763    1.7498    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8335    0.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5443   -1.1018    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -1.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -2.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -2.9065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -1.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -2.4065    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2918    3.2342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5342    3.4818    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9802    1.8702    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8158    2.6501    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7664    3.3200    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1731    2.7877    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1432    0.5920    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7364    1.1243    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9294    2.0418    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0937    1.2619    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -0.2865    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320   -3.5265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3291   -1.0965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 19  1  0  0  0  0
  2 12  1  0  0  0  0
  2 13  1  0  0  0  0
  3 12  2  0  0  0  0
  4  6  1  0  0  0  0
  4 15  1  0  0  0  0
  5 10  1  0  0  0  0
  5 11  1  0  0  0  0
  5 12  1  0  0  0  0
  6 13  2  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 20  1  0  0  0  0
  7 21  1  0  0  0  0
  8 10  1  0  0  0  0
  8 22  1  0  0  0  0
  8 23  1  0  0  0  0
  9 11  1  0  0  0  0
  9 24  1  0  0  0  0
  9 25  1  0  0  0  0
 10 26  1  0  0  0  0
 10 27  1  0  0  0  0
 11 28  1  0  0  0  0
 11 29  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  2  0  0  0  0
 14 16  1  0  0  0  0
 15 17  1  0  0  0  0
 16 18  2  0  0  0  0
 16 30  1  0  0  0  0
 17 19  2  0  0  0  0
 17 31  1  0  0  0  0
 18 19  1  0  0  0  0
 18 32  1  0  0  0  0
M  END
> <PUBCHEM_COMPOUND_CID>
53364513

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
336

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
4

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
2

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADccBzMAAEAAAAAAAAAAAAAAAAAWAAAAA8QAAAAAAAAFgB8AAAHgIEAAAADAbBmiQwjtMQBACpAqByWgCCCAAkJQAomCEuTtoMJ76Ft5uMM+Bn5h2I7ceYyCCOBAAAAQAIAAAIAAACABAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
(6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate

> <PUBCHEM_IUPAC_CAS_NAME>
1-piperidinecarboxylic acid (6-chloro-1,2-benzoxazol-3-yl) ester

> <PUBCHEM_IUPAC_NAME_MARKUP>
(6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate

> <PUBCHEM_IUPAC_NAME>
(6-chloro-1,2-benzoxazol-3-yl) piperidine-1-carboxylate

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
(6-chloranyl-1,2-benzoxazol-3-yl) piperidine-1-carboxylate

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
piperidine-1-carboxylic acid (6-chloroindoxazen-3-yl) ester

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C13H13ClN2O3/c14-9-4-5-10-11(8-9)19-15-12(10)18-13(17)16-6-2-1-3-7-16/h4-5,8H,1-3,6-7H2

> <PUBCHEM_IUPAC_INCHIKEY>
OJIWUHZMNDGOGL-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
3.3

> <PUBCHEM_EXACT_MASS>
280.0614700

> <PUBCHEM_MOLECULAR_FORMULA>
C13H13ClN2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
280.70

> <PUBCHEM_OPENEYE_CAN_SMILES>
C1CCN(CC1)C(=O)OC2=NOC3=C2C=CC(=C3)Cl

> <PUBCHEM_OPENEYE_ISO_SMILES>
C1CCN(CC1)C(=O)OC2=NOC3=C2C=CC(=C3)Cl

> <PUBCHEM_CACTVS_TPSA>
55.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
280.0614700

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
19

> <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>
13  14  8
14  15  8
14  16  8
15  17  8
16  18  8
17  19  8
18  19  8
4  15  8
4  6  8
6  13  8

$$$$