4-Methyloxazole - ≥97% , CAS No.693-93-6

CAS: 693-93-6 Cat. No.: M177203 Summenformel: C₄H₅NO Molekulargewicht: 83.09 EG-Nummer: 211-763-6

GRADE & PURITY ≥97%

Synonyms

4-methyl-1,3-oxazole | EINECS 211-763-6 | FT-0748388 | MFCD11110237 | Oxazole, 4-methyl- | AS-56599 | A855978 | 4-Methyloxazole | 4-methyl-oxazole | LM39FU40WS | Q27283063 | AKOS006307938 | DTXSID9022106 | Z1198313432 | PUMREIFKTMLCAF-UHFFFAOYSA-N | EN300

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyme

4-methyl-1,3-oxazole | EINECS 211-763-6 | FT-0748388 | MFCD11110237 | Oxazole, 4-methyl- | AS-56599 | A855978 | 4-Methyloxazole | 4-methyl-oxazole | LM39FU40WS | Q27283063 | AKOS006307938 | DTXSID9022106 | Z1198313432 | PUMREIFKTMLCAF-UHFFFAOYSA-N | EN300

Spezifikationen & Reinheit

≥97%

Storage

Room temperature

Verschickt in

Normal

Reinheit

≥97%

Namen und Kennungen

Pubchem Sid

528760788

Kanonisches Lächeln

CC1=COC=N1

IUPAC Name

4-methyl-1,3-oxazole

InChIKey

PUMREIFKTMLCAF-UHFFFAOYSA-N

INCHI

1S/C4H5NO/c1-4-2-6-3-5-4/h2-3H,1H3

Isomere SMILES

CC1=COC=N1

Molekulargewicht

83.09

Reaxy-Rn

105226

Reaxys-RN_link_address

https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=105226&ln=

Taxonomic Classification

Taxonomy Tree

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

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Klasse: Azoles
• Subclass: Oxazoles
• Intermediate Tree Nodes: Not available
• Direct Parent: Oxazoles
• Alternative Parents: Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organopnictogen compounds Organooxygen compounds Organonitrogen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Heteroaromatic compound - Oxazole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
• Beschreibung: This compound belongs to the class of organic compounds known as oxazoles. These are compounds containing an oxazole ring, which 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

Chemische und physikalische Eigenschaften

• Molekulargewicht: 83.090 g/mol
• XLogP3: 0.700
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 0
• Exact Mass: 83.0371 Da
• Monoisotopic Mass: 83.0371 Da
• Topological Polar Surface Area: 26.000 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 46.800
• 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