Oxpoconazole

HCID 11348992

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Basic information

CAS: 134074-64-9
Standard SMILES: CC1(C)COC(C)(CCCc2ccc(Cl)cc2)N1C(=O)n1ccnc1
InChIKey: FJBGIXKIXPUXBY-UHFFFAOYSA-N
Molecular formula: C19H24ClN3O2
Average molar mass: 361.9 g/mol
Monoisotopic mass: 361.1557047

Overview

{2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl}(imidazol-1-yl)methanone is a member of the class of oxazolidines that is 2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidine in which the amino hydrogen is replaced by an (imidazol-1-yl)carbonyl group. It is a N-acylimidazole, a member of oxazolidines and a member of monochlorobenzenes.

Names & identifiers

Preferred name: Oxpoconazole
IUPAC: [2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanone
English name: Oxpoconazole
Molecular formula: C19H24ClN3O2
Molecular weight: 361.87

Names & synonyms

Oxpoconazole134074-64-941VYI5P23FDTXSID0057960RefChem:857810DTXCID4031728CHEBI:83832Oxpoconazole [ISO](2-(3-(4-Chlorophenyl)propyl)-2,4,4-trimethyloxazolidin-3-yl)(1H-imidazol-1-yl)methanone{2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl}(1H-imidazol-1-yl)methanoneUNII-41VYI5P23Fstarbld0048844

Show more names

Methanone, [2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-3-oxazolidinyl]-1H-imidazol-1-yl-

SCHEMBL21067CHEBI:83837FJBGIXKIXPUXBY-UHFFFAOYSA-N[2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl]-imidazol-1-ylmethanoneQ19297830{2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl}(imidazol-1-yl)methanone2-(3-(4-CHLOROPHENYL)PROPYL)-2,4,4-TRIMETHYL-3-OXAZOLIDINYL)-1H-IMIDAZOL-1-YL-METHANONEOXAZOLIDINE, 2-(3-(4-CHLOROPHENYL)PROPYL)-3-(1H-IMIDAZOL-1-YLCARBONYL)-2,4,4-TRIMETHYL

Database identifiers

CAS: 134074-64-9
PubChem CID: 11348992
DTXSID

Properties

Computed structural properties

XLogP: 3.8
Topological polar surface area: 47.4 Å²
Hydrogen bond donors: 0
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 25
Formal charge: 0
Complexity: 479

Experimental & physicochemical properties

Pesticides · 2 items

Fungicides

Active substance -> EU Pesticides database: Not approved

Physicochemical properties

Boiling point: 487.9 · 487.9±55.0 °C(Predicted)
Density: 1.2 · 1.20±0.1 g/cm3(Predicted)
pka: 4.2 · 4.20±0.10(Predicted)
FDA UNII: 41 VYI5P23F · 41VYI5P23F

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

GHS classification

GHS Classification · 4 items

Not Classified

Danger

H360: May damage fertility or the unborn child [Danger Reproductive toxicity]

P203, P280, P318, P405, and P501 (click each P-code to see the statement)

Hazard information

Hazard Classes and CategoriesAcute toxicity (Oral) - Category 4

Chemistry & industry

Suppliers2 total

天津阿尔塔科技有限公司022-6537-8550 15522853686 · [email protected]

上海右肯医药科技有限公司021-37910267 15821801668 · [email protected]

Additional notes · 1 item

DefinitionChEBI: {2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidin-3-yl}(imidazol-1-yl)methanone is a member of the class of oxazolidines that is 2-[3-(4-chlorophenyl)propyl]-2,4,4-trimethyl-1,3-oxazolidine in which the amino hydrogen is replaced by an (imidazol-1-yl)carbonyl group. It is a member of oxazolidines, a N-acylimidazole and a member of monochlorobenzenes.

Related reactions

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Compound notes

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