3-Methoxy-4-(oxazol-5-yl)aniline - ≥98% , CAS No.198821-79-3

CAS: 198821-79-3 Cat. No.: M191886 Molecular Weight: 190.2

GRADE & PURITY ≥98%

Synonyms

O11029 | 3-methoxy-4-(5-oxazolyl)aniline | Benzenamine, 3-methoxy-4-(5-oxazolyl)- | MFCD03844645 | 3-Methoxy-4-oxazol-5-yl-phenylamine | BDBM50127715 | FT-0692203 | DTXSID80572997 | 3-methoxy-4-(oxazol-5-yl)aniline | DS-2798 | 3-methoxy-4-(oxazol-5-yl)ben

Storage

Room temperature

Shipped In

Normal

Specifications

Synonyms

O11029 | 3-methoxy-4-(5-oxazolyl)aniline | Benzenamine, 3-methoxy-4-(5-oxazolyl)- | MFCD03844645 | 3-Methoxy-4-oxazol-5-yl-phenylamine | BDBM50127715 | FT-0692203 | DTXSID80572997 | 3-methoxy-4-(oxazol-5-yl)aniline | DS-2798 | 3-methoxy-4-(oxazol-5-yl)ben

Specifications & Purity

≥98%

Storage

Room temperature

Shipped In

Normal

Purity

≥98%

Names and Identifiers

• Canonical Smiles: COC1=C(C=CC(=C1)N)C2=CN=CO2
• IUPAC Name: 3-methoxy-4-(1,3-oxazol-5-yl)aniline
• InChIKey: KYCMMXMEXWSPCV-UHFFFAOYSA-N
• INCHI: 1S/C10H10N2O2/c1-13-9-4-7(11)2-3-8(9)10-5-12-6-14-10/h2-6H,11H2,1H3
• Isomeric SMILES: COC1=C(C=CC(=C1)N)C2=CN=CO2
• Molecular Weight: 190.2
• Reaxy-Rn: 9121073
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=9121073&ln=

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: Phenyl-1,3-oxazoles
• Alternative Parents: Methoxyanilines Aminophenyl ethers Phenoxy compounds Methoxybenzenes Anisoles Alkyl aryl ethers Heteroaromatic compounds Oxacyclic compounds Azacyclic compounds Primary amines Hydrocarbon derivatives
• Molecular Framework: Aromatic heteromonocyclic compounds
• Substituents: Phenyl-1,3-oxazole - Aminophenyl ether - Methoxyaniline - Phenoxy compound - Anisole - Phenol ether - Aniline or substituted anilines - Methoxybenzene - Alkyl aryl ether - Monocyclic benzene moiety - Benzenoid - Heteroaromatic compound - Oxacycle - Ether - Azacycle - Primary amine - Organic nitrogen compound - Organooxygen compound - Organonitrogen compound - Hydrocarbon derivative - Organic oxygen compound - Amine - Aromatic heteromonocyclic compound
• Description: This compound belongs to the class of organic compounds known as phenyl-1,3-oxazoles. These are aromatic heterocyclic compounds containing a 1,3-oxazole substituted at one or more positions by a phenyl group.
• 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

Associated Targets(Human)

IMPDH2 Tclin Inosine-5'-monophosphate dehydrogenase 2 (1326 Activities)

Discover Target: IMPDH2

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mechanisms of Action

Chemical and Physical Properties

• Molecular Weight: 190.200 g/mol
• XLogP3: 1.300
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 2
• Exact Mass: 190.074 Da
• Monoisotopic Mass: 190.074 Da
• Topological Polar Surface Area: 61.300 Ų
• Heavy Atom Count: 14
• Formal Charge: 0
• Complexity: 189.000
• 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