3-Amino-5-methylisoxazole - ≥97%(GC) , CAS No.1072-67-9

CAS: 1072-67-9 Cat. No.: A151654 Molecular Weight: 98.11 Beilstein Registry Number: 108110 EC Number: 214-013-6

GRADE & PURITY ≥97%(GC)

Synonyms

3-AMINO-5-METHYLISOXAZOL | 5-methyl-isoxazole-3-ylamine | 5-methyl-1,2-oxazol-3-amine | STR00406 | 5-Methyl-3-aminoisoxazole | SDCCGMLS-0066220.P001 | 5-METHYL-3-ISOXAZOLYLAMINE | NCGC00258701-01 | NSC 159134 | DTXSID9021631 | SY001097 | EN300-21602 | NG-

Storage

Room temperature

Shipped In

Normal

Overview

Product Introduction

3-amino-5-methylisoxazole is a major intermediate formed during the biodegradation of Sulfamethoxazole by P. psychrophilicus strain HA-4.It is an intermediate formed during the photocatalytic degradation of sulfamethoxazole (SMX).

Application

3-amino-5-methylisoxazole for synthesis:

• naphtho [1,2-e] [1,3] oxazines

• 1-aryl-4-methyl-3,6-bis - (5-methylisoxazol-3-yl) - 2-thio-2,3,6,10 B - tetrahydro-1 H - pyrimido [5,4 - C] quinolin-5-one series with potential mosquito killing activity

• hydroxylamine with sulfadiazine and thiamethoxazole

Specifications

Synonyms

3-AMINO-5-METHYLISOXAZOL | 5-methyl-isoxazole-3-ylamine | 5-methyl-1, 2-oxazol-3-amine | STR00406 | 5-Methyl-3-aminoisoxazole | SDCCGMLS-0066220.P001 | 5-METHYL-3-ISOXAZOLYLAMINE | NCGC00258701-01 | NSC 159134 | DTXSID9021631 | SY001097 | EN300-21602 | NG-

Specifications & Purity

≥97%(GC)

Storage

Room temperature

Shipped In

Normal

Purity

≥97%(GC)

Names and Identifiers

• Pubchem Sid: 488183750
• Pubchem Sid Url: https://pubchem.ncbi.nlm.nih.gov/substance/488183750
• Canonical Smiles: CC1=CC(=NO1)N
• IUPAC Name: 5-methyl-1,2-oxazol-3-amine
• InChIKey: FKPXGNGUVSHWQQ-UHFFFAOYSA-N
• INCHI: 1S/C4H6N2O/c1-3-2-4(5)6-7-3/h2H,1H3,(H2,5,6)
• Isomeric SMILES: CC1=CC(=NO1)N
• WGK Germany: 3
• Molecular Weight: 98.11
• Beilstein: 108110
• Reaxy-Rn: 108110
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=108110&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organoheterocyclic compounds
    • Class Imidolactams

• Kingdom: Organic compounds
• Superclass: Organoheterocyclic compounds
• Class: Imidolactams
• Subclass: Not available
• Intermediate Tree Nodes: Not available
• Direct Parent: Imidolactams
• Alternative Parents: Isoxazoles Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Organopnictogen compounds Organooxygen compounds Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Imidolactam - Heteroaromatic compound - Isoxazole - Azole - Oxacycle - Azacycle - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Hydrocarbon derivative - Primary amine - Organooxygen compound - Organonitrogen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as imidolactams. These are cyclic organooxygen compounds containing the structure RC(=N)N where the central carbon atom and one of the linked nitrogen atoms are part of the same ring( R here is an organyl group). They can also be viewed as analogs of lactams where the oxygen atom is replaced by a nitrogen atom.
• 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

• Solubility: Soluble in Methanol
• Melt Point(°C): 60℃
• Molecular Weight: 98.100 g/mol
• XLogP3: 0.100
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 0
• Exact Mass: 98.048 Da
• Monoisotopic Mass: 98.048 Da
• Topological Polar Surface Area: 52.100 Ų
• Heavy Atom Count: 7
• Formal Charge: 0
• Complexity: 66.700
• 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

References

1. Junwei Liu, Xinyue Yang, Tao Gao, Yuehan Zhang, Dandan Pan, Jian He, Xiangwei Wu.  (2025)  Revealing the anaerobic biodegradation pathway and mechanism of sulfamethoxazole by a novel Cupidesulfovibrio sp. strain SA-9.  WATER RESEARCH,      [PMID:41389422] [10.1016/j.watres.2025.125118]