About 2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromo-2,3-difluorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(5-methyl-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-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromo-2,3-difluorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(5-methyl-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 159185029) has the molecular formula C126H76BrF9N10O29S6
and a molecular weight of 2637.32 g/mol. Its IUPAC name is 2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromo-2,3-difluorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(5-methyl-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-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromo-2,3-difluorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(5-methyl-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-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromo-2,3-difluorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(5-methyl-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 159185029) is 2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromo-2,3-difluorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(5-methyl-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-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromo-2,3-difluorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(5-methyl-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-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromo-2,3-difluorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(5-methyl-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 COc1cccc2cc(-c3csc(CC(=O)c4nc5ccccc5o4)c3C(=O)O)oc12.Cc1ccc2nc(C(=O)Cc3scc(-c4ccc(C)c(F)c4F)c3C(=O)O)oc2c1.Cc1ccc2oc(C(=O)Nc3scc(-c4ccc(C)c(F)c4F)c3C(=O)O)nc2c1.O=C(Nc1scc(-c2cc3cccc(O)c3o2)c1C(=O)O)c1nc2ccccc2o1.O=C(Nc1scc(-c2ccc(Br)c(F)c2F)c1C(=O)O)c1nc2ccccc2o1.O=C(Nc1scc(-c2ccc(OC(F)(F)F)cc2)c1C(=O)O)c1nc2ccccc2o1.
What is the InChIKey of 2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromo-2,3-difluorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(5-methyl-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 KNJLMGMOFQEXSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15NO6S.C22H15F2NO4S.C21H14F2N2O4S.C21H12N2O6S.C20H11F3N2O5S.C19H9BrF2N2O4S/c1-28-17-8-4-5-12-9-18(29-21(12)17)13-11-31-19(20(13)23(26)27)10-15(25)22-24-14-6-2-3-7-16(14)30-22;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;1-9-3-6-14-13(7-9)24-19(29-14)18(26)25-20-15(21(27)28)12(8-30-20)11-5-4-10(2)16(22)17(11)23;24-13-6-3-4-10-8-15(28-17(10)13)11-9-30-20(16(11)21(26)27)23-18(25)19-22-12-5-1-2-7-14(12)29-19;21-20(22,23)30-11-7-5-10(6-8-11)12-9-31-18(15(12)19(27)28)25-16(26)17-24-13-3-1-2-4-14(13)29-17;20-10-6-5-8(14(21)15(10)22)9-7-29-18(13(9)19(26)27)24-16(25)17-23-11-3-1-2-4-12(11)28-17/h2-9,11H,10H2,1H3,(H,26,27);3-7,9H,8H2,1-2H3,(H,27,28);3-8H,1-2H3,(H,25,26)(H,27,28);1-9,24H,(H,23,25)(H,26,27);1-9H,(H,25,26)(H,27,28);1-7H,(H,24,25)(H,26,27).
What are the key properties of 2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromo-2,3-difluorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(5-methyl-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-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromo-2,3-difluorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(5-methyl-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 2637.32 g/mol, XLogP of 32.32, 28 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-benzoxazole-2-carbonylamino)-4-(4-bromo-2,3-difluorophenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(7-hydroxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-[4-(trifluoromethoxy)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(7-methoxy-1-benzofuran-2-yl)thiophene-3-carboxylic acid;4-(2,3-difluoro-4-methylphenyl)-2-[(5-methyl-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 159185029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).