2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

Base Information

• Chemical Name: 2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
• CAS No.: 603072-78-2
• Molecular Formula: C14H21N5O3S
• Molecular Weight: 339.41324
• DSSTox Substance ID: DTXSID301321977
• ChEMBL ID: CHEMBL1869906
• Mol file: 603072-78-2.mol

Synonyms:603072-78-2;ACETAMIDE,2-[[4-(2-METHOXYETHYL)-5-(ISOPROPYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(5-METHYL-3-ISOXAZOLYL)-;2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide;MLS001195662;CHEMBL1869906;DTXSID301321977;HMS2919P17;AKOS000764286;SMR000601230;SR-01000342444;SR-01000342444-1;2-[5-Isopropyl-4-(2-methoxy-ethyl)-4H-[1,2,4]triazol-3-ylsulfanyl]-N-(5-methyl-isoxazol-3-yl)-acetamide;2-{[5-Isopropyl-4-(2-methoxyethyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(5-methyl-1,2-oxazol-3-yl)acetamide

Chemical Property of 2-[[4-(2-methoxyethyl)-5-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide

Chemical Property:

• PKA: 11.35±0.70(Predicted)
• PSA: 123.60000
• Density: 1.34±0.1 g/cm3(Predicted)
• LogP: 1.49700
• XLogP3: 1.3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 7
• Rotatable Bond Count: 8
• Exact Mass: 339.13651072
• Heavy Atom Count: 23
• Complexity: 387

Purity/Quality:

2-[[4-(2-METHOXYETHYL)-5-(1-METHYLETHYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]-N-(5-METHYL-3-ISOXAZOLYL)-ACETAMIDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC(=NO1)NC(=O)CSC2=NN=C(N2CCOC)C(C)C