24791474
  -OEChem-04272400232D

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    3.7320   -6.9078    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7320   -3.9078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8660   -4.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5981   -4.4078    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
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    5.2510    4.8168    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6428    5.8003    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5561    6.6254    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    4.5983    4.8900    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9737    7.2723    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1621    7.4448    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3670    7.0908    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9521    6.3722    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    6.5620    4.7318    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0295    4.0221    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9462    3.2294    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2976    2.2166    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3809    3.0093    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    2.3291   -4.0978    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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    5.1350   -5.7178    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
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  3 17  2  0  0  0  0
  4  7  1  0  0  0  0
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  5 21  1  0  0  0  0
  5 22  1  0  0  0  0
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M  END
> <PUBCHEM_COMPOUND_CID>
24791474

> <PUBCHEM_COMPOUND_CANONICALIZED>
1

> <PUBCHEM_CACTVS_COMPLEXITY>
476

> <PUBCHEM_CACTVS_HBOND_ACCEPTOR>
6

> <PUBCHEM_CACTVS_HBOND_DONOR>
0

> <PUBCHEM_CACTVS_ROTATABLE_BOND>
8

> <PUBCHEM_CACTVS_SUBSKEYS>
AAADceB7MYAAAAAAAAAAAAAAAAAAAeIAAAAwAAAAAAAAAAABwAAAHwAEAAAADQzhlg4yhpMQBACpAaVyUgKCCAAmIgAomCH+bNoNZjqEtZ+WOajmxhmK6ce/1IIOAAAAAAAAAAAAAAAAAAAAAAAAAAAAAA==

> <PUBCHEM_IUPAC_OPENEYE_NAME>
N-(3-cyclopentylpropyl)-5-[(3,4-difluorophenoxy)methyl]-N-methyl-isoxazole-3-carboxamide

> <PUBCHEM_IUPAC_CAS_NAME>
N-(3-cyclopentylpropyl)-5-[(3,4-difluorophenoxy)methyl]-N-methyl-3-isoxazolecarboxamide

> <PUBCHEM_IUPAC_NAME_MARKUP>
<I>N</I>-(3-cyclopentylpropyl)-5-[(3,4-difluorophenoxy)methyl]-<I>N</I>-methyl-1,2-oxazole-3-carboxamide

> <PUBCHEM_IUPAC_NAME>
N-(3-cyclopentylpropyl)-5-[(3,4-difluorophenoxy)methyl]-N-methyl-1,2-oxazole-3-carboxamide

> <PUBCHEM_IUPAC_SYSTEMATIC_NAME>
5-[[3,4-bis(fluoranyl)phenoxy]methyl]-N-(3-cyclopentylpropyl)-N-methyl-1,2-oxazole-3-carboxamide

> <PUBCHEM_IUPAC_TRADITIONAL_NAME>
N-(3-cyclopentylpropyl)-5-[(3,4-difluorophenoxy)methyl]-N-methyl-isoxazole-3-carboxamide

> <PUBCHEM_IUPAC_INCHI>
InChI=1S/C20H24F2N2O3/c1-24(10-4-7-14-5-2-3-6-14)20(25)19-12-16(27-23-19)13-26-15-8-9-17(21)18(22)11-15/h8-9,11-12,14H,2-7,10,13H2,1H3

> <PUBCHEM_IUPAC_INCHIKEY>
AUCIFNSRKLFDBB-UHFFFAOYSA-N

> <PUBCHEM_XLOGP3_AA>
4.8

> <PUBCHEM_EXACT_MASS>
378.17549896

> <PUBCHEM_MOLECULAR_FORMULA>
C20H24F2N2O3

> <PUBCHEM_MOLECULAR_WEIGHT>
378.4

> <PUBCHEM_OPENEYE_CAN_SMILES>
CN(CCCC1CCCC1)C(=O)C2=NOC(=C2)COC3=CC(=C(C=C3)F)F

> <PUBCHEM_OPENEYE_ISO_SMILES>
CN(CCCC1CCCC1)C(=O)C2=NOC(=C2)COC3=CC(=C(C=C3)F)F

> <PUBCHEM_CACTVS_TPSA>
55.6

> <PUBCHEM_MONOISOTOPIC_WEIGHT>
378.17549896

> <PUBCHEM_TOTAL_CHARGE>
0

> <PUBCHEM_HEAVY_ATOM_COUNT>
27

> <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>
18  19  8
19  20  8
22  23  8
22  24  8
23  25  8
24  26  8
25  27  8
26  27  8
4  20  8
4  7  8
7  18  8

$$$$