5-(3-Chlorobenzyl)-2-(piperidin-2-yl)oxazole , CAS No.1785761-02-5

CAS: 1785761-02-5 Cat. No.: C1243719 Peso molecular: 276.76

Storage

Room temperature

Shipped In

Normal

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Nombres e identificadores

• Sonrisas canónicas: C1CCNC(C1)C2=NC=C(O2)CC3=CC(=CC=C3)Cl
• IUPAC Name: 5-[(3-chlorophenyl)methyl]-2-piperidin-2-yl-1,3-oxazole
• InChIKey: LJSQCUJIFSBJLP-UHFFFAOYSA-N
• INCHI: 1S/C15H17ClN2O/c16-12-5-3-4-11(8-12)9-13-10-18-15(19-13)14-6-1-2-7-17-14/h3-5,8,10,14,17H,1-2,6-7,9H2
• Peso molecular: 276.76

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Piperidines
      • Subclass Piperidinecarboxylic acids and derivatives

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Piperidines
• Subclass: Piperidinecarboxylic acids and derivatives
• Intermediate Tree Nodes: Not available
• Direct Parent: Piperidinecarboxamides
• Alternative Parents: Chlorobenzenes 2,5-disubstituted oxazoles Heteroaromatic compounds Vinyl chlorides Propargyl-type 1,3-dipolar organic compounds Oxacyclic compounds Dialkylamines Chloroalkenes Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Piperidinecarboxamide - 2-piperidinecarboxamide - Halobenzene - Chlorobenzene - 2,5-disubstituted 1,3-oxazole - Benzenoid - Monocyclic benzene moiety - Heteroaromatic compound - Oxazole - Azole - Oxacycle - Azacycle - Chloroalkene - Haloalkene - Organic 1,3-dipolar compound - Propargyl-type 1,3-dipolar organic compound - Vinyl halide - Vinyl chloride - Secondary amine - Secondary aliphatic amine - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Amine - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as piperidinecarboxamides. These are compounds containing a piperidine ring substituted with a carboxamide functional 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

Propiedades químicas y físicas

• Peso molecular: 276.760 g/mol
• XLogP3: 3.200
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 276.103 Da
• Monoisotopic Mass: 276.103 Da
• Topological Polar Surface Area: 38.100 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 289.000
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 1
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1