4-{3-[2-(Methyl{[(3-methylphenyl)amino]carbonyl}-amino)ethyl]-1,2,4-oxadiazol-5-YL}benzoic acid

Base Information

• Chemical Name: 4-{3-[2-(Methyl{[(3-methylphenyl)amino]carbonyl}-amino)ethyl]-1,2,4-oxadiazol-5-YL}benzoic acid
• CAS No.: 1142209-91-3
• Molecular Formula: C20H20N4O4
• Molecular Weight: 380.4
• DSSTox Substance ID: DTXSID001115864
• Mol file: 1142209-91-3.mol

Synonyms:1142209-91-3;4-{3-[2-(METHYL{[(3-METHYLPHENYL)AMINO]CARBONYL}-AMINO)ETHYL]-1,2,4-OXADIAZOL-5-YL}BENZOIC ACID;4-(3-(2-(1-Methyl-3-(m-tolyl)ureido)ethyl)-1,2,4-oxadiazol-5-yl)benzoic acid;4-[3-(2-{methyl[(3-methylphenyl)carbamoyl]amino}ethyl)-1,2,4-oxadiazol-5-yl]benzoic acid;4-[3-[2-[methyl-[(3-methylphenyl)carbamoyl]amino]ethyl]-1,2,4-oxadiazol-5-yl]benzoic acid;4-(3-[2-(Methyl([(3-methylphenyl)amino]carbonyl)amino)ethyl]-1,2,4-oxadiazol-5-yl)benzoic acid;4-{3-[2-(methyl{[(3-methylphenyl)amino]carbonyl}amino)ethyl]-1,2,4-oxadiazol-5-yl}benzoic acid;DTXSID001115864;MFCD12028282;STK505938;AKOS005172187;benzoic acid, 4-[3-[2-[methyl[[(3-methylphenyl)amino]carbonyl]amino]ethyl]-1,2,4-oxadiazol-5-yl]-;LS-03180;CS-0335269;4-(3-(2-(1-Methyl-3-(m-tolyl)ureido)ethyl)-1,2,4-oxadiazol-5-yl)benzoicacid

Chemical Property of 4-{3-[2-(Methyl{[(3-methylphenyl)amino]carbonyl}-amino)ethyl]-1,2,4-oxadiazol-5-YL}benzoic acid

Chemical Property:

• XLogP3: 2.9
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 6
• Exact Mass: 380.14845513
• Heavy Atom Count: 28
• Complexity: 538

Purity/Quality:

98%min ^*data from raw suppliers

4-{3-[2-(Methyl{[(3-methylphenyl)amino]carbonyl}-amino)ethyl]-1,2,4-oxadiazol-5-yl}benzoic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
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MSDS Files:

Useful:

• Canonical SMILES: CC1=CC(=CC=C1)NC(=O)N(C)CCC2=NOC(=N2)C3=CC=C(C=C3)C(=O)O