(1-(Oxazolo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl)methanamine , CAS No.1035840-17-5

CAS: 1035840-17-5 Cat. No.: O1323911 PubChem CID: 25219099

Storage

Room temperature

Specifications

Condiciones de almacenamiento de almacenamiento

Room temperature

Nombres e identificadores

• Sonrisas canónicas: C1CN(CC1CN)C2=NC3=C(O2)C=CC=N3
• IUPAC Name: [1-([1,3]oxazolo[4,5-b]pyridin-2-yl)pyrrolidin-3-yl]methanamine
• InChIKey: MEAMSTOPEAYMQF-UHFFFAOYSA-N
• INCHI: 1S/C11H14N4O/c12-6-8-3-5-15(7-8)11-14-10-9(16-11)2-1-4-13-10/h1-2,4,8H,3,5-7,12H2
• Isómeros SMILES: C1CN(CC1CN)C2=NC3=C(O2)C=CC=N3
• PubChem CID: 25219099

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Clase Oxazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Clase: Oxazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxazolopyridines
• Alternative Parents: Dialkylarylamines Pyridines and derivatives Pyrrolidines Oxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organooxygen compounds Monoalkylamines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-oxazolopyridine - Dialkylarylamine - Pyridine - Azole - Oxazole - Heteroaromatic compound - Pyrrolidine - Oxacycle - Azacycle - Primary amine - Hydrocarbon derivative - Organic oxygen compound - Organooxygen compound - Organonitrogen compound - Primary aliphatic amine - Organic nitrogen compound - Amine - Aromatic heteropolycyclic compound
• Descripción: This compound belongs to the class of organic compounds known as oxazolopyridines. These are polycyclic compounds containing an oxazole ring fused to a pyridine ring.
• 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: 218.260 g/mol
• XLogP3: 0.900
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 2
• Exact Mass: 218.117 Da
• Monoisotopic Mass: 218.117 Da
• Topological Polar Surface Area: 68.200 Ų
• Heavy Atom Count: 16
• Formal Charge: 0
• Complexity: 250.000
• 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