Ethyl 2-(t-butoxycarbonylamino)oxazole-5-carboxylate - ≥98% , CAS No.941294-50-4

CAS: 941294-50-4 Cat. No.: E188473 Peso molecular: 256.3

GRADE & PURITY ≥98%

Synonyms

941294-50-4|ETHYL 2-(T-BUTOXYCARBONYLAMINO)OXAZOLE-5-CARBOXYLATE|Ethyl 2-((tert-butoxycarbonyl)amino)oxazole-5-carboxylate|Ethyl 2-((tert-butoxycarbonyl)-amino)oxazole-5-carboxylate|ETHYL 2-(T-BOC-AMINO)OXAZOLE-5-CARBOXYLATE|ethyl 2-[(2-methylpropan-2-yl)

Storage

Room temperature

Shipped In

Normal

Specifications

Sinónimos

941294-50-4 | ETHYL 2-(T-BUTOXYCARBONYLAMINO)OXAZOLE-5-CARBOXYLATE | Ethyl 2-((tert-butoxycarbonyl)amino)oxazole-5-carboxylate | Ethyl 2-((tert-butoxycarbonyl)-amino)oxazole-5-carboxylate | ETHYL 2-(T-BOC-AMINO)OXAZOLE-5-CARBOXYLATE | ethyl 2-[(2-methylpropan-2-yl)

Especificaciones y pureza

≥98%

Condiciones de almacenamiento de almacenamiento

Room temperature

Enviado en

Normal

Pureza

≥98%

Nombres e identificadores

• Sonrisas canónicas: CCOC(=O)C1=CN=C(O1)NC(=O)OC(C)(C)C
• IUPAC Name: ethyl 2-[(2-methylpropan-2-yl)oxycarbonylamino]-1,3-oxazole-5-carboxylate
• InChIKey: KKWALHUVCIYBSO-UHFFFAOYSA-N
• INCHI: 1S/C11H16N2O5/c1-5-16-8(14)7-6-12-9(17-7)13-10(15)18-11(2,3)4/h6H,5H2,1-4H3,(H,12,13,15)
• Isómeros SMILES: CCOC(=O)C1=CN=C(O1)NC(=O)OC(C)(C)C
• Peso molecular: 256.3
• Reaxy-Rn: 21609669
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=21609669&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: 2,5-disubstituted oxazoles
• Alternative Parents: Heteroaromatic compounds Carbamate esters Carboxylic acid esters Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: 2,5-disubstituted 1,3-oxazole - Heteroaromatic compound - Carbamic acid ester - Carboxylic acid ester - Oxacycle - Azacycle - Carboxylic acid derivative - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Carbonyl group - Aromatic heteromonocyclic compound
• Descripción: This compound belongs to the class of organic compounds known as 2,5-disubstituted oxazoles. These are compounds containing an oxazole ring substituted at positions 2 and 5 only. Oxazole is a five-membered aromatic heterocycle with one oxygen, one nitrogen, and three carbon atoms. Isomers include 1,2-oxazole and 1,3-oxazole.
• 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: 256.250 g/mol
• XLogP3: 1.800
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 256.106 Da
• Monoisotopic Mass: 256.106 Da
• Topological Polar Surface Area: 90.700 Ų
• Heavy Atom Count: 18
• Formal Charge: 0
• Complexity: 313.000
• 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