IUPAC name
2-[3-(4-chlorophenyl)propyl]-3-(1H-imidazol-1-ylcarbonyl)-2,4,4-trimethyloxazolidine
SMILES
CC1(C)COC(C)(CCCc2ccc(cc2)Cl)N1C(=O)n1ccnc1
Compound class
Fungicide
Therapeutic area
Fungicide
Common name
oxpoconazole
IUPAC name
2-[3-(4-chlorophenyl)propyl]-3-(1H-imidazol-1-ylcarbonyl)-2,4,4-trimethyloxazolidine
SMILES
CC1(C)COC(C)(CCCc2ccc(cc2)Cl)N1C(=O)n1ccnc1
INCHI
InChI=1S/C19H24ClN3O2/c1-18(2)13-25-19(3,23(18)17(24)22-12-11-21-14-22)10-4-5-15-6-8-16(20)9-7-15/h6-9,11-12,14H,4-5,10,13H2,1-3H3
FORMULA
C19H24ClN3O2
Common name
oxpoconazole
IUPAC name
2-[3-(4-chlorophenyl)propyl]-3-(1H-imidazol-1-ylcarbonyl)-2,4,4-trimethyloxazolidine
Molecular weight
361.866
clogP
3.445
clogS
-4.645
HBond Acceptor
3
HBond Donor
0
Total Polar Surface Area
47.36
Number of Rings
3
Rotatable Bond
6
| Drug ID | Common name | Structure CAS | SMILE | Frequency |
|---|---|---|---|---|
| FDBF00007 | propane |
|
C(C)C | 0.2412 |
| FDBF00016 | chlorobenzene |
|
c1ccc(cc1)Cl | 0.0718 |
| FDBF00205 | 1-chloro-4-methyl-benzene |
|
Cc1ccc(cc1)Cl | 0.0113 |
| FDBF07385 | imidazol-1-yl-(2,2,4,4-tetramethyl-1,3-oxazolidin-3-yl)methanone |
|
CC1(N(C(OC1)(C)C)C(=O)N1C=NC=C1)C | 0.0003 |
| FDBF07386 | [(2S)-2-ethyl-2,4,4-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone |
|
CC1(N([C@](OC1)(C)CC)C(=O)N1C=NC=C1)C | 0.0003 |
| FDBF07387 | imidazol-1-yl-[(2R)-2,4,4-trimethyl-1,3-oxazolidin-3-yl]methanone |
|
CC1(N([C@H](OC1)C)C(=O)N1C=NC=C1)C | 0.0003 |
6 ,
1
