4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide

Basic Information

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CAS Number

181695-72-7

Molecular Formula

C16H14N2O3S

Molecular Weight

314.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Amines

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

Basic Physical Properties

Physical State

Powder

Melting Point

169.0 to 173.0 deg-C

Boiling Point

481.2°C at 760 mmHg

Solubility

DMSO: >25mg/mL

SMILES

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CC1=C(C(=NO1)C2=CC=CC=C2)C3=CC=C(C=C3)S(=O)(=O)N

InChI

InChI=1S/C16H14N2O3S/c1-11-15(12-7-9-14(10-8-12)22(17,19)20)16(18-21-11)13-5-3-2-4-6-13/h2-10H,1H3,(H2,17,19,20)

InChIKey

LNPDTQAFDNKSHK-UHFFFAOYSA-N

LogP

2.9644200000000005

Topological Polar Surface Area

86.19 Å²

Hydrogen Bond Donor/Acceptor

2 / 5

Complexity

462

Safety Information

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Hazard Statement

H373 Causes damage to organs through prolonged or repeated exposure
Specific target organ toxicity, repeated exposure

H410 Very toxic to aquatic life with long lasting effects
Hazardous to the aquatic environment, long-term hazard

Synonyms & References

English

CS-1674
FT-0631199
BSPBio_002721
CHEMBL865
KBio2_007363
NSC759846
VALDECOXIB [ORANGE BOOK]
BRD-K12994359-001-14-3
EN300-7393031
VALDECOXIB (MART.)
Q347613
4-(5-methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide
VALDECOXIB [HSDB]
Valdecoxib, >=98% (HPLC)
MLS000759433
2919279Q3W
HMS2051P07
4-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
SPBio_000435
J-513600
Valdecoxib [USAN:INN:BAN]
BCP02419
AKOS000280920
COX
BDBM13063
p-(5-Methyl-3-phenyl-4-isoxazolyl)benzenesulfonamide
CHEBI:63634
VALDECOXIB [WHO-DD]
KBio2_004795
KBioSS_002227
SB19519

MDL Number

MFCD00950568

Customs Code

2935009090

FAQ

What is 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide (CAS: 181695-72-7)?

4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide (CAS: 181695-72-7) is an organic compound characterized by a sulfonamide group attached to a benzene ring, which is further substituted with a 1,2-oxazol ring containing a methyl and phenyl group. It is commonly used in chemical research and pharmaceutical applications due to its structural versatility and potential biological activity.

What are the main uses of 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide (CAS: 181695-72-7)?

This compound is primarily used in pharmaceutical research as a building block for drug development, particularly in the synthesis of anti-inflammatory and analgesic agents. It also finds applications in organic synthesis, as a catalyst or intermediate, and in the formulation of various chemical products due to its reactivity and functional group compatibility.

Is 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide (CAS: 181695-72-7) safe?

4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide (CAS: 181695-72-7) is generally considered safe when handled properly. However, it should be treated with care as it may cause skin and eye irritation. Protective equipment such as gloves and goggles is recommended, and it should be stored away from incompatible materials to ensure safety in chemical handling.

How should 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide (CAS: 181695-72-7) be stored?

To maintain stability and prevent degradation, 4-(5-Methyl-3-phenyl-1,2-oxazol-4-yl)benzenesulfonamide (CAS: 181695-72-7) should be stored in a cool, dry, and dark place. It is advisable to keep it in a sealed container at a temperature below 25°C and away from moisture and light exposure to ensure its shelf life and effectiveness.