5-(4-Fluorophenyl)-1,3-oxazole - ≥97% , CAS No.128101-19-9

CAS: 128101-19-9 Cat. No.: F343745 Peso molecular: 163.15

GRADE & PURITY ≥97%

Synonyms

DECANOYLP-NITROANILINE | 5-(4-fluorophenyl)-1,3-oxazole | AKOS015912066 | SCHEMBL3635051 | BB 0253786 | FT-0619652 | DTXSID00372092 | MFCD00085087 | SY229135 | C72156 | Oxazole, 5-(4-fluorophenyl)- | AS-8921 | A805786 | 5-(4-fluorophenyl)oxazole | 5-(4-Fl

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

DECANOYLP-NITROANILINE | 5-(4-fluorophenyl)-1, 3-oxazole | AKOS015912066 | SCHEMBL3635051 | BB 0253786 | FT-0619652 | DTXSID00372092 | MFCD00085087 | SY229135 | C72156 | Oxazole, 5-(4-fluorophenyl)- | AS-8921 | A805786 | 5-(4-fluorophenyl)oxazole | 5-(4-Fl

Especificaciones y pureza

≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥97%

Nombres e identificadores

• Pubchem Sid: 488192898
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488192898
• Sonrisas canónicas: C1=CC(=CC=C1C2=CN=CO2)F
• IUPAC Name: 5-(4-fluorophenyl)-1,3-oxazole
• InChIKey: OISYVFVUDOSQRB-UHFFFAOYSA-N
• INCHI: 1S/C9H6FNO/c10-8-3-1-7(2-4-8)9-5-11-6-12-9/h1-6H
• Isómeros SMILES: C1=CC(=CC=C1C2=CN=CO2)F
• Peso molecular: 163.15
• Reaxy-Rn: 4386943
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=4386943&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Phenyl-1,3-oxazoles
• Alternative Parents: Fluorobenzenes Aryl fluorides Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Organofluorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,3-oxazole - Fluorobenzene - Halobenzene - Aryl fluoride - Aryl halide - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Azacycle - Organooxygen compound - Organonitrogen compound - Organofluoride - Organohalogen compound - Hydrocarbon derivative - Organopnictogen compound - Organic oxygen compound - Organic nitrogen compound - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
• 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

Objetivos asociados (no humanos)

pol Human immunodeficiency virus type 1 integrase (9041 Activities)

Discover Target: pol

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

Mecanismos de acción

Propiedades químicas y físicas

• Peso molecular: 163.150 g/mol
• XLogP3: 2.100
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 163.043 Da
• Monoisotopic Mass: 163.043 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 12
• Formal Charge: 0
• Complexity: 145.000
• 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