1,3,4-Oxadiazole - Moligand™, ≥96% , CAS No.288-99-3

CAS: 288-99-3 Cat. No.: O695281 Peso molecular: 70.05 Número EC: 873-098-3 PubChem CID: 97428

GRADE & PURITY Moligand™, ≥96%

Storage

Store at 2-8°C

Shipped In

Wet ice

Descripción general

1,3,4-Oxadiazoles are a class of synthetic compounds with important medicinal value, which show a variety of biological activities such as anticonvulsant, antidepressant, analgesic, anti-inflammatory, antiallergic, antipsychotic, antimicrobial, antituberculous, antitumor, and antiviral. 1,3,4-Oxadiazole derivatives need to be further developed.

Specifications

Especificaciones y pureza

Moligand™, ≥96%

Condiciones de almacenamiento de almacenamiento

Store at 2-8°C

Enviado en

Wet ice

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Tipo de acción

INHIBITOR

Pureza

≥96%

Nombres e identificadores

• Sonrisas canónicas: C1=NN=CO1
• IUPAC Name: 1,3,4-oxadiazole
• InChIKey: FKASFBLJDCHBNZ-UHFFFAOYSA-N
• INCHI: 1S/C2H2N2O/c1-3-4-2-5-1/h1-2H
• Isómeros SMILES: C1=NN=CO1
• PubChem CID: 97428
• Peso molecular: 70.05

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Azoles
      • Subclass Oxadiazoles

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Oxadiazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: 1,3,4-oxadiazoles
• Alternative Parents: Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - 1,3,4-oxadiazole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 1,3,4-oxadiazoles. These are compounds containing an oxadiazole ring with the oxygen and the two nitrogen atoms at positions 1, 3, and 4, respectively.
• External Descriptors: Not available

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

Propiedades químicas y físicas

• Peso molecular: 70.050 g/mol
• XLogP3: -0.200
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 70.0167 Da
• Monoisotopic Mass: 70.0167 Da
• Topological Polar Surface Area: 38.900 Ų
• Heavy Atom Count: 5
• Formal Charge: 0
• Complexity: 26.800
• 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