2-Oxazolidinona - ≥99% , CAS No.497-25-6

CAS: 497-25-6 Cat. No.: O133460 Peso molecular: 87.08 Beilstein Registry Number: 27135 Número EC: 207-840-9

GRADE & PURITY ≥99%

Synonyms

CHEBI:1237 | STR03231 | AMY39498 | Carbamic acid, (2-hydroxyethyl)-, .gamma.-lactone | SMR000857362 | STL183293 | Geigy G-29288 | 2-oxo-1,3-oxazolidine | OXAZOLIDINE,2-ONE | (4-Nitrophenyl)(phenyl)sulfane | 2H-oxazol-2-id-4-one;Oxazolidin-2-one | AKOS0001

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

CHEBI:1237 | STR03231 | AMY39498 | Carbamic acid, (2-hydroxyethyl)-, .gamma.-lactone | SMR000857362 | STL183293 | Geigy G-29288 | 2-oxo-1, 3-oxazolidine | OXAZOLIDINE, 2-ONE | (4-Nitrophenyl)(phenyl)sulfane | 2H-oxazol-2-id-4-one;Oxazolidin-2-one | AKOS0001

Especificaciones y pureza

≥99%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥99%

Nombres e identificadores

• Pubchem Sid: 488184840
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488184840
• Sonrisas canónicas: C1COC(=O)N1
• IUPAC Name: 1,3-oxazolidin-2-one
• InChIKey: IZXIZTKNFFYFOF-UHFFFAOYSA-N
• INCHI: 1S/C3H5NO2/c5-3-4-1-2-6-3/h1-2H2,(H,4,5)
• Isómeros SMILES: C1COC(=O)N1
• WGK Alemania: 3
• RTECS: RQ2450000
• Peso molecular: 87.08
• Beilstein: 27135
• Reaxy-Rn: 106251
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=106251&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azolines
      • Subclass Oxazolines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azolines
• Subclass: Oxazolines
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxazolines
• Alternative Parents: Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aliphatic heteromonocyclic compounds
• Substituents: Oxazoline - Oxacycle - Azacycle - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aliphatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oxazolines. These are organic compounds containing 1,3-oxazoline, a five-membered ring with a nitrogen and an oxygen atoms at the 1- and 3-position, respectively. Additionally, it contains two double bonds.
• External Descriptors: Cyclic lactones

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

VDR Tclin Vitamin D receptor (26531 Activities)

Discover Target: VDR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

POLI Tchem DNA polymerase iota (116820 Activities)

Discover Target: POLI

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

GMNN Tbio Geminin (128009 Activities)

Discover Target: GMNN

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

RAPGEF4 Tchem Rap guanine nucleotide exchange factor 4 (11476 Activities)

Discover Target: RAPGEF4

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Objetivos asociados (no humanos)

Plasmodium falciparum (966862 Activities)

Explore this target

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Soluble in water & methanol.
• Punto de ebullición (°C): 200 °C
• Punto de fusión (°C): 89 °C
• Peso molecular: 87.080 g/mol
• XLogP3: -0.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 87.032 Da
• Monoisotopic Mass: 87.032 Da
• Topological Polar Surface Area: 38.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 71.200
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Wentao Zheng, Guangwen Yu, Guibing Xia, Wanghao Shen, Weizhong Shi, Tengteng Zhou, Xiankun Wu.  (2023)  Experimental solubility and thermodynamic modeling of nitric oxide absorption in low-viscosity DBU-based deep eutectic solvents.  JOURNAL OF MOLECULAR LIQUIDS,      [PMID:] [10.1016/j.molliq.2023.121785]

2. Hao Ling, Qiufeng Mao, Sen Liu, Hongxia Gao, Juan Lv, Yu Mao, Zhiwu Liang.  (2021)  Simple and Shortcut Method for Evaluating and Guiding the Removal of Degradation Products, Improving Solvent Performance, and Reducing Regeneration Energy.  INDUSTRIAL & ENGINEERING CHEMISTRY RESEARCH,      [PMID:] [10.1021/acs.iecr.0c05762]

3. Wentao Zheng, Jialing Chen, Yujiao Jia, Nengqi Sun, Xiankun Wu.  (2025)  Thermodynamic analysis of nitric oxide absorption in deep eutectic solvents comprising 1,1,3,3-tetramethylguanidine.  JOURNAL OF CHEMICAL THERMODYNAMICS,      [PMID:] [10.1016/j.jct.2025.107563]