Chem 5 Methyl 4 Morpholinomethylisoxazole 3 Carboxylicacid Dsrpl

Compound 322
  CheckMol                        TMF02:r0:m0
MF=C10H14N2O4 MW=226.23
 16 17  0  2  0               999 V2000
    0.0000   -0.0000   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4161   -0.4484   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7111   -1.8999   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5136    0.5664   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    3.9651    0.2714   -0.0000 N   0 00  0  0  0  0  0  0  0  0  0  0
    2.3484    2.0651   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    4.6967    1.5813   -0.0000 O   0 00  0  0  0  0  0  0  0  0  0  0
    3.7055    2.6906   -0.0000 C   0 00  0  0  0  0  0  0  0  0  0  0
    1.0385    2.8204   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0005    4.1657   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0267    4.3309   -0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2832    5.0862   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3130    5.0980   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2950    6.5967   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3012    6.6085   -0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9913    7.3637   -0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  4  5 02  0  1  0  0
  4  6 01  0  1  0  0
  5  7 01  0  1  0  0
  6  8 02  0  1  0  0
  6  9  1  0  0  0  0
  8 10  1  0  0  0  0
  9 11  1  0  0  0  0
 11 12  1  0  1  0  0
 11 13  1  0  1  0  0
 12 14  1  0  1  0  0
 13 15  1  0  1  0  0
 14 16  1  0  1  0  0
  7  8 01  0  1  0  0
 15 16  1  0  1  0  0
M  END

5-methyl-4-(morpholinomethyl)isoxazole-3-carboxyli

₹ 0.00 0.00

Chemical Name - 5-methyl-4-(morpholinomethyl)isoxazole-3-carboxylicacid
Mol Weight - 226.231
Smiles - Cc1c(CN2CCOCC2)c(C(O)=O)no1

Property Name	Property Value
Mol Name	5-methyl-4-(morpholinomethyl)isoxazole-3-carboxylicacid
Molweight	226.231
Monoisotopic Mass	226.095358
Clogp	-1.3277
Clogs	-0.699
H Acceptors	6
H Donors	1
Total Surface Area	173.67
Relative Psa	0.37295
Polar Surface Area	75.8
Druglikeness	1.9513
Mutagenic	none
Tumorigenic	none
Reproductive Effective	none
Irritant	none
Shape Index	0.5625
Molecular Flexibility	0.47646
Molecular Complexity	0.6909
Fragments	1
Non H Atoms	16
Non Ch Atoms	6
Electronegative Atoms	6
Rotatable Bonds	3
Rings Closures	2
Small Rings	2
Aromatic Rings	1
Aromatic Atoms	5
Sp3 Atoms	9
Symmetric Atoms	2
Amines	1
Alkyl Amines	1
Aromatic Nitrogens	1
Basic Nitrogens	1
Acidic Oxygens	1
Smiles	Cc1c(CN2CCOCC2)c(C(O)=O)no1
InChIKey	InChI=1S/C10H14N2O4/c1-7-8(9(10(13)14)11-16-7)6-12-2-4-15-5-3-12/h2-6H2,1H3,(H,13,14)
InChI	WWEQFPZKRLFAKK-UHFFFAOYSA-N

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5-methyl-4-(morpholinomethyl)isoxazole-3-carboxyli