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1-(2，5-Dimethyloxazol-4-yl)ethanone - ≥98%, high purity , CAS No.23000-12-6

COA

Grade & Purity:

≥98%

Cas Number: 23000-12-6
Molecular Weight: 139.15
PubChem CID: 14738583

In stock

Item Number

E728057

Grouped product items
SKU	Size	Availability	Price	Qty
E728057-100mg	100mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$163.90
E728057-250mg	250mg	Available within 8-12 weeks(?) Production requires sourcing of materials. We appreciate your patience and understanding.	$255.90

Taxonomic Classification

Taxonomy Tree

Kingdom Organic compounds
- Superclass Organoheterocyclic compounds
  - Class Azoles
    - Subclass Oxazoles

Kingdom	Organic compounds
Superclass	Organoheterocyclic compounds
Class	Azoles
Subclass	Oxazoles
Intermediate Tree Nodes	Not available
Direct Parent	2,4,5-trisubstituted oxazoles
Alternative Parents	Aryl alkyl ketones Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Organonitrogen compounds Organic oxides Hydrocarbon derivatives
Molecular Framework	Aromatic heteromonocyclic compounds
Substituents	Aryl alkyl ketone - Aryl ketone - 2,4,5-trisubstituted 1,3-oxazole - Heteroaromatic compound - Ketone - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Aromatic heteromonocyclic compound
Description	This compound belongs to the class of organic compounds known as 2,4,5-trisubstituted oxazoles. These are compounds containing an oxazole ring substituted at positions 2, 4 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
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

Names and Identifiers

IUPAC Name	1-(2,5-dimethyl-1,3-oxazol-4-yl)ethanone
INCHI	InChI=1S/C7H9NO2/c1-4(9)7-5(2)10-6(3)8-7/h1-3H3
InChIKey	XWLBBTGITHATTI-UHFFFAOYSA-N
Smiles	CC1=C(N=C(O1)C)C(=O)C
Isomeric SMILES	CC1=C(N=C(O1)C)C(=O)C
PubChem CID	14738583
Molecular Weight	139.15

Certificates（CoA,COO,BSE/TSE and Analysis Chart)

C of A & Other Certificates(BSE/TSE, COO):

Analytical Chart:

Chemical and Physical Properties

Molecular Weight	139.150 g/mol
XLogP3	1.200
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	1
Exact Mass	139.063 Da
Monoisotopic Mass	139.063 Da
Topological Polar Surface Area	43.100 Å²
Heavy Atom Count	10
Formal Charge	0
Complexity	147.000
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

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