3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one

Base Information

• Chemical Name: 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one
• CAS No.: 712270-97-8
• Molecular Formula: C18H13 N5 O3 S
• Molecular Weight: 379.39252
• DSSTox Substance ID: DTXSID90384644
• Wikidata: Q82176926
• Mol file: 712270-97-8.mol

Synonyms:712270-97-8;3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one;3H-1,2,4-Triazol-3-one,2,4-dihydro-5-[[2-oxo-2-(3-phenyl-5-isoxazolyl)ethyl]thio]-4-(3-pyridinyl)-;3-((2-Oxo-2-(3-phenylisoxazol-5-yl)ethyl)thio)-4-(pyridin-3-yl)-1H-1,2,4-triazol-5(4H)-one;DTXSID90384644;HMS1664I11;AG-G-78832;BRD-K44913497-001-01-5

Chemical Property of 3-[2-oxo-2-(3-phenyl-1,2-oxazol-5-yl)ethyl]sulfanyl-4-pyridin-3-yl-1H-1,2,4-triazol-5-one

Chemical Property:

• PSA: 132.23000
• LogP: 2.99790
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 6
• Exact Mass: 379.07391047
• Heavy Atom Count: 27
• Complexity: 596

Purity/Quality:

99%min ^*data from raw suppliers

2-([5-HYDROXY-4-(3-PYRIDINYL)-4H-1,2,4-TRIAZOL-3-YL]SULFANYL)-1-(3-PHENYL-5-ISOXAZOLYL)-1-ETHANONE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)C2=NOC(=C2)C(=O)CSC3=NNC(=O)N3C4=CN=CC=C4