Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester

Base Information

• Chemical Name: Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester
• CAS No.: 606102-36-7
• Molecular Formula: C17H17FN2O4
• Molecular Weight: 332.33
• DSSTox Substance ID: DTXSID40349541
• ChEMBL ID: CHEMBL1482823
• Mol file: 606102-36-7.mol

Synonyms:606102-36-7;ASN 06744289;2-(Cyclopentylamino)-1-(4-fluorophenyl)-2-oxoethyl isoxazole-5-carboxylate;Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester;MLS000027509;CHEMBL1482823;DTXSID40349541;HMS2430D08;AKOS000800196;SMR000007156;SR-01000342033;SR-01000342033-1

Chemical Property of Isoxazole-5-carboxylic acid cyclopentylcarbamoyl-(4-fluoro-phenyl)-methyl ester

Chemical Property:

• PSA: 84.92000
• LogP: 3.61090
• XLogP3: 3
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 332.11723519
• Heavy Atom Count: 24
• Complexity: 448

Purity/Quality:

Safty Information:

• Pictogram(s):  
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MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC(C1)NC(=O)C(C2=CC=C(C=C2)F)OC(=O)C3=CC=NO3

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