(4-[1,3]Oxazolo[4,5-b]pyridin-2-ylmorpholin-2-yl)methylamine dihydrochloride , CAS No.1158406-56-4

CAS: 1158406-56-4 Cat. No.: O975871 Molecular Weight: 307.18 PubChem CID: 44120496

Storage

Room temperature

Specifications

Storage

Room temperature

Names and Identifiers

• Canonical Smiles: C1COC(CN1C2=NC3=C(O2)C=CC=N3)CN.Cl.Cl
• IUPAC Name: [4-([1,3]oxazolo[4,5-b]pyridin-2-yl)morpholin-2-yl]methanamine;dihydrochloride
• InChIKey: TYDOUTJUSLEWQF-UHFFFAOYSA-N
• INCHI: 1S/C11H14N4O2.2ClH/c12-6-8-7-15(4-5-16-8)11-14-10-9(17-11)2-1-3-13-10;;/h1-3,8H,4-7,12H2;2*1H
• Isomeric SMILES: C1COC(CN1C2=NC3=C(O2)C=CC=N3)CN.Cl.Cl
• PubChem CID: 44120496
• Molecular Weight: 307.18

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Oxazolopyridines

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Oxazolopyridines
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxazolopyridines
• Alternative Parents: Dialkylarylamines Pyridines and derivatives Morpholines Oxazoles Heteroaromatic compounds Oxacyclic compounds Dialkyl ethers Azacyclic compounds Monoalkylamines Hydrochlorides Hydrocarbon derivatives
• Molecular Framework: Aromatic heteropolycyclic compounds
• Substituents: 1,3-oxazolopyridine - Dialkylarylamine - Morpholine - Pyridine - Oxazinane - Azole - Heteroaromatic compound - Oxazole - Tertiary amine - Dialkyl ether - Ether - Oxacycle - Azacycle - Amine - Primary amine - Organooxygen compound - Organonitrogen compound - Hydrochloride - Primary aliphatic amine - Hydrocarbon derivative - Organic oxygen compound - Organic nitrogen compound - Aromatic heteropolycyclic compound
• Description: 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

Chemical and Physical Properties

• Molecular Weight: 307.170 g/mol
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 2
• Exact Mass: 306.065 Da
• Monoisotopic Mass: 306.065 Da
• Topological Polar Surface Area: 77.400 Ų
• Heavy Atom Count: 19
• Formal Charge: 0
• Complexity: 266.000
• 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: 3

XLogP3