About 2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylcarbamoyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylcarbamoyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid (PubChem CID 159832588) has the molecular formula C128H84ClF10N9O25S6
and a molecular weight of 2565.95 g/mol. Its IUPAC name is 2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylcarbamoyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of 2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylcarbamoyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The IUPAC name of 2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylcarbamoyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid (CID 159832588) is 2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylcarbamoyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylcarbamoyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The canonical SMILES for 2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylcarbamoyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid is CN(C)C(=O)c1ccc(-c2csc(CC(=O)c3nc4ccccc4o3)c2C(=O)O)cc1.CN(C)c1ccc(-c2csc(CC(=O)c3nc4ccccc4o3)c2C(=O)O)cc1.Cc1ccc2nc(C(=O)Cc3scc(-c4ccc(C)c(F)c4F)c3C(=O)O)oc2c1.O=C(Cc1scc(-c2ccc(C(F)(F)F)cc2)c1C(=O)O)c1nc2ccccc2o1.O=C(Cc1scc(-c2ccc(C(F)(F)F)cc2F)c1C(=O)O)c1nc2ccccc2o1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2cccc(F)c2o1.
What is the InChIKey of 2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylcarbamoyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The InChIKey is NNQNMBNLDGGATJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H18N2O5S.C22H15F2NO4S.C22H18N2O4S.C21H11F4NO4S.C21H12F3NO4S.C19H10ClFN2O4S/c1-25(2)22(27)14-9-7-13(8-10-14)15-12-31-19(20(15)23(28)29)11-17(26)21-24-16-5-3-4-6-18(16)30-21;1-10-3-6-14-16(7-10)29-21(25-14)15(26)8-17-18(22(27)28)13(9-30-17)12-5-4-11(2)19(23)20(12)24;1-24(2)14-9-7-13(8-10-14)15-12-29-19(20(15)22(26)27)11-17(25)21-23-16-5-3-4-6-18(16)28-21;22-13-7-10(21(23,24)25)5-6-11(13)12-9-31-17(18(12)20(28)29)8-15(27)19-26-14-3-1-2-4-16(14)30-19;22-21(23,24)12-7-5-11(6-8-12)13-10-30-17(18(13)20(27)28)9-15(26)19-25-14-3-1-2-4-16(14)29-19;20-10-6-4-9(5-7-10)11-8-28-18(14(11)19(25)26)23-16(24)17-22-13-3-1-2-12(21)15(13)27-17/h3-10,12H,11H2,1-2H3,(H,28,29);3-7,9H,8H2,1-2H3,(H,27,28);3-10,12H,11H2,1-2H3,(H,26,27);1-7,9H,8H2,(H,28,29);1-8,10H,9H2,(H,27,28);1-8H,(H,23,24)(H,25,26).
What are the key properties of 2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylcarbamoyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylcarbamoyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid has a molecular weight of 2565.95 g/mol, XLogP of 31.54, 31 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylamino)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(dimethylcarbamoyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-fluoro-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-fluoro-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 159832588), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).