IUPAC name
3-[(3R)-5-(4-chlorophenyl)-2,3-dimethyl-3-isoxazolidinyl]pyridine
SMILES
C[C@@]1(CC(c2ccc(cc2)Cl)ON1C)c1cccnc1
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
pyrisoxazole
IUPAC name
3-[(3R)-5-(4-chlorophenyl)-2,3-dimethyl-3-isoxazolidinyl]pyridine
SMILES
C[C@@]1(CC(c2ccc(cc2)Cl)ON1C)c1cccnc1
INCHI
InChI=1S/C16H17ClN2O/c1-16(13-4-3-9-18-11-13)10-15(20-19(16)2)12-5-7-14(17)8-6-12/h3-9,11,15H,10H2,1-2H3/t15?,16-/m1/s1
FORMULA
C16H17ClN2O
Common name
pyrisoxazole
IUPAC name
3-[(3R)-5-(4-chlorophenyl)-2,3-dimethyl-3-isoxazolidinyl]pyridine
Molecular weight
288.772
clogP
3.445
clogS
-4.380
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
25.36
Number of Rings
3
Rotatable Bond
2
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00014 | pyridine |
|
c1cccnc1 | 0.0333 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF07526 | (2R,3R)-2,3-dimethyl-3-pyridin-3-yl-1,2-oxazolidin-2-ium |
|
[H][N@]1(C)OCC[C@]1(C)c1cccnc1 | 0.0003 |
| FDBF07527 | (2R,3R,5S)-5-(4-chlorophenyl)-2,3-dimethyl-1,2-oxazolidin-2-ium |
|
[H][N@]1(C)O[C@@H](C[C@H]1C)c1ccc(Cl)cc1 | 0.0003 |
| FDBF07528 | (2R,3R)-2,3-dimethyl-1,2-oxazolidin-2-ium |
|
[H][N@]1(C)OCC[C@H]1C | 0.0003 |
5 ,
1
