Mrv1652312081619472D          

 23 24  0  0  0  0            999 V2000
   -2.7637   -3.0694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4282   -2.3157    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6077   -2.2295    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1228   -2.8969    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4583   -3.6506    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2788   -3.7369    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3023   -2.8107    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1102   -2.0962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9172   -2.2678    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0034   -3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2498   -3.4238    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.7179   -3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4324   -3.0882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1468   -3.5007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1468   -4.3257    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8613   -3.0882    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
   -0.2253   -1.3426    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0458   -1.2563    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3814   -0.5027    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8964    0.1648    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0760    0.0785    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2596   -0.6751    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5758   -2.6757    0.0000 K   0  3  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  3  4  2  0  0  0  0
  4  5  1  0  0  0  0
  5  6  2  0  0  0  0
  1  6  1  0  0  0  0
  4  7  1  0  0  0  0
  7  8  2  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  2  0  0  0  0
  7 11  1  0  0  0  0
 10 12  1  0  0  0  0
 12 13  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
  8 17  1  0  0  0  0
 17 18  2  0  0  0  0
 18 19  1  0  0  0  0
 19 20  2  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 17 22  1  0  0  0  0
M  CHG  2  16  -1  23   1
M  END
> <DATABASE_ID>
DBSALT001452

> <DATABASE_NAME>
drugbank

> <SMILES>
[K+].[O-]C(=O)CCC1=NC(=C(O1)C1=CC=CC=C1)C1=CC=CC=C1

> <INCHI_IDENTIFIER>
InChI=1S/C18H15NO3.K/c20-16(21)12-11-15-19-17(13-7-3-1-4-8-13)18(22-15)14-9-5-2-6-10-14;/h1-10H,11-12H2,(H,20,21);/q;+1/p-1

> <INCHI_KEY>
QTAQWNSMRSLSCG-UHFFFAOYSA-M

> <FORMULA>
C18H14KNO3

> <MOLECULAR_WEIGHT>
331.412

> <EXACT_MASS>
331.0610748

> <JCHEM_ACCEPTOR_COUNT>
3

> <JCHEM_ATOM_COUNT>
37

> <JCHEM_AVERAGE_POLARIZABILITY>
31.217050413523825

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
potassium 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate

> <ALOGPS_LOGP>
4.19

> <JCHEM_LOGP>
3.463366851666667

> <ALOGPS_LOGS>
-3.89

> <JCHEM_MDDR_LIKE_RULE>
0

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
-1

> <JCHEM_PKA_STRONGEST_ACIDIC>
4.9539368664156385

> <JCHEM_PKA_STRONGEST_BASIC>
-0.5865251770999927

> <JCHEM_POLAR_SURFACE_AREA>
66.16

> <JCHEM_REFRACTIVITY>
92.71640000000002

> <JCHEM_ROTATABLE_BOND_COUNT>
5

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
4.30e-02 g/l

> <JCHEM_TRADITIONAL_IUPAC>
potassium 3-(4,5-diphenyl-1,3-oxazol-2-yl)propanoate

> <JCHEM_VEBER_RULE>
0

> <DRUGBANK_ID>
DBSALT001452

> <NAME>
Oxaprozin potassium

> <DRUG_DRUGBANK_ID>
DB00991

> <DRUG_NAME>
Oxaprozin

> <CAS_NUMBER>
174064-08-5

> <UNII>
ML56O2Z92I

$$$$