5-Methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide

Basic Information

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CAS Number

75706-12-6

Molecular Formula

C12H9F3N2O2

Molecular Weight

270.21 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Fine Chemicals Specialty Chemicals UV Stabilizers

Agricultural Chemicals Pesticides Herbicides

Basic Physical Properties

Physical State

Powder

Melting Point

166.0 to 170.0 deg-C

Boiling Point

289.3°C at 760 mmHg

Density

1.392

Refractive Index

1.541

SMILES

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CC1=C(C=NO1)C(=O)NC2=CC=C(C=C2)C(F)(F)F

InChI

InChI=1S/C12H9F3N2O2/c1-7-10(6-16-19-7)11(18)17-9-4-2-8(3-5-9)12(13,14)15/h2-6H,1H3,(H,17,18)

InChIKey

VHOGYURTWQBHIL-UHFFFAOYSA-N

LogP

3.2541200000000012

pKa

10.8(at 25℃)

Topological Polar Surface Area

55.13 Å²

Hydrogen Bond Donor/Acceptor

1 / 4

Complexity

327

Safety Information

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Hazard Statement

H301 Toxic if swallowed
Acute toxicity, oral

H360 May damage fertility or the unborn child
Reproductive toxicity

Hazard Class

Class 6.1 Class 6.1

Synonyms & References

English

BCP22241
NCGC00022625-08
HMS2097K06
LEFLUNOMIDE [USAN]
5-methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide
MFCD00867593
4-Isoxazolecarboxamide, 5-methyl-N-(4-(trifluoromethyl)phenyl
HWA486
LEFLUNOMIDE [USP-RS]
Arava
NCGC00015610-06
AB00052389_21
SR-01000000191-7
DTXSID9023201
4-Isoxazolecarboxamide, 5-methyl-N-(4-(trifluoromethyl)phenyl)-
Spectrum_000322
HMS3414P03
HWA-486
HMS2090O12
NCGC00015610-14
5-methyl-N-
Leflunomide (USAN:USP:INN:BAN)
LEFLUNOMIDE [WHO-DD]
MLS001076267
4-Isoxazolecarboxamide, 5-methyl-N-[4-(trifluoromethyl)phenyl]-
SW196399-3
SDCCGSBI-0050629.P003
DB01097
HMS502N18
5-methylisoxazole-4-carboxylic acid (4-trifluoromethyl)-anilide
DTXCID103201

MDL Number

MFCD00867593

Customs Code

2934999090

FAQ

What is 5-Methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CAS: 75706-12-6)?

5-Methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CAS: 75706-12-6) is a synthetic organic compound containing a 1,2-oxazole ring with a methyl group at position 5 and a 4-(trifluoromethyl)phenyl substituent. It is characterized by its carboxamide functionality and is commonly used in pharmaceutical research for its potential biological activity. The compound exhibits stability under standard conditions but requires careful handling due to its chemical reactivity.

What are the main uses of 5-Methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CAS: 75706-12-6)?

This compound is primarily used in pharmaceutical development as an intermediate for synthesizing drugs targeting neurological or metabolic disorders. It also finds applications in industrial chemistry for material synthesis and in research for studying oxazole-based derivatives. Its unique structure makes it valuable for creating compounds with enhanced potency and selectivity in drug discovery processes.

Is 5-Methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CAS: 75706-12-6) safe?

Safety measures for 5-Methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CAS: 75706-12-6) include wearing protective gloves, goggles, and a lab coat to prevent skin and eye contact. Inhalation and ingestion should be avoided, and proper ventilation is recommended. While it is generally considered low toxicity, adherence to OSHA and chemical safety guidelines is essential to minimize risks during handling and use.

How should 5-Methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CAS: 75706-12-6) be stored?

Store 5-Methyl-N-[4-(trifluoromethyl)phenyl]-1,2-oxazole-4-carboxamide (CAS: 75706-12-6) in a cool, dry, and light-protected area. Keep it in a sealed, airtight container to prevent moisture and contamination. Maintain storage temperature below 25°C and avoid exposure to heat or direct sunlight to ensure stability. Always store away from incompatible substances and follow manufacturer-specific guidelines.