About 4-(1,3-benzoxazole-2-carbonylamino)-2-(3-fluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-fluorophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-isocyanophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;4-[2-(7-bromo-1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(7-methyl-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid
4-(1,3-benzoxazole-2-carbonylamino)-2-(3-fluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-fluorophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-isocyanophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;4-[2-(7-bromo-1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(7-methyl-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid (PubChem CID 158718209) has the molecular formula C163H99BrCl7F2N11O32S8
and a molecular weight of 3346.24 g/mol. Its IUPAC name is 4-(1,3-benzoxazole-2-carbonylamino)-2-(3-fluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-fluorophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-isocyanophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;4-[2-(7-bromo-1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(7-methyl-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid.
Frequently Asked Questions
What is the IUPAC name of 4-(1,3-benzoxazole-2-carbonylamino)-2-(3-fluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-fluorophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-isocyanophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;4-[2-(7-bromo-1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(7-methyl-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The IUPAC name of 4-(1,3-benzoxazole-2-carbonylamino)-2-(3-fluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-fluorophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-isocyanophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;4-[2-(7-bromo-1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(7-methyl-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid (CID 158718209) is 4-(1,3-benzoxazole-2-carbonylamino)-2-(3-fluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-fluorophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-isocyanophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;4-[2-(7-bromo-1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(7-methyl-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(1,3-benzoxazole-2-carbonylamino)-2-(3-fluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-fluorophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-isocyanophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;4-[2-(7-bromo-1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(7-methyl-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The canonical SMILES for 4-(1,3-benzoxazole-2-carbonylamino)-2-(3-fluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-fluorophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-isocyanophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;4-[2-(7-bromo-1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(7-methyl-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid is Cc1ccc(-c2scc(NC(=O)c3nc4ccccc4o3)c2C(=O)O)cc1F.Cc1ccc2nc(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)oc2c1.Cc1ccc2oc(C(=O)Cc3csc(-c4ccc(Cl)cc4)c3C(=O)O)nc2c1.Cc1cccc2nc(C(=O)Nc3csc(-c4ccc(Cl)cc4)c3C(=O)O)oc12.O=C(Cc1csc(-c2ccc(Cl)c(F)c2)c1C(=O)O)c1nc2ccccc2o1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2cccc(Br)c2o1.O=C(Cc1csc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2ccccc2o1.[C-]#[N+]c1cc(-c2scc(CC(=O)c3nc4ccccc4o3)c2C(=O)O)ccc1Cl.
What is the InChIKey of 4-(1,3-benzoxazole-2-carbonylamino)-2-(3-fluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-fluorophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-isocyanophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;4-[2-(7-bromo-1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(7-methyl-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
The InChIKey is IJOXUYKNQBNZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H11ClN2O4S.2C21H14ClNO4S.C20H11BrClNO4S.C20H11ClFNO4S.C20H13ClN2O4S.C20H12ClNO4S.C20H13FN2O4S/c1-23-15-8-11(6-7-13(15)22)19-18(21(26)27)12(10-29-19)9-16(25)20-24-14-4-2-3-5-17(14)28-20;1-11-2-7-17-15(8-11)23-20(27-17)16(24)9-13-10-28-19(18(13)21(25)26)12-3-5-14(22)6-4-12;1-11-2-7-15-17(8-11)27-20(23-15)16(24)9-13-10-28-19(18(13)21(25)26)12-3-5-14(22)6-4-12;21-13-2-1-3-14-17(13)27-19(23-14)15(24)8-11-9-28-18(16(11)20(25)26)10-4-6-12(22)7-5-10;21-12-6-5-10(7-13(12)22)18-17(20(25)26)11(9-28-18)8-15(24)19-23-14-3-1-2-4-16(14)27-19;1-10-3-2-4-13-16(10)27-19(23-13)18(24)22-14-9-28-17(15(14)20(25)26)11-5-7-12(21)8-6-11;21-13-7-5-11(6-8-13)18-17(20(24)25)12(10-27-18)9-15(23)19-22-14-3-1-2-4-16(14)26-19;1-10-6-7-11(8-12(10)21)17-16(20(25)26)14(9-28-17)22-18(24)19-23-13-4-2-3-5-15(13)27-19/h2-8,10H,9H2,(H,26,27);2*2-8,10H,9H2,1H3,(H,25,26);2*1-7,9H,8H2,(H,25,26);2-9H,1H3,(H,22,24)(H,25,26);1-8,10H,9H2,(H,24,25);2-9H,1H3,(H,22,24)(H,25,26).
What are the key properties of 4-(1,3-benzoxazole-2-carbonylamino)-2-(3-fluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-fluorophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-isocyanophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;4-[2-(7-bromo-1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(7-methyl-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid?
4-(1,3-benzoxazole-2-carbonylamino)-2-(3-fluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-fluorophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-isocyanophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;4-[2-(7-bromo-1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(7-methyl-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid has a molecular weight of 3346.24 g/mol, XLogP of 44.49, 38 rotatable bonds, 10 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1,3-benzoxazole-2-carbonylamino)-2-(3-fluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-fluorophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chloro-3-isocyanophenyl)thiophene-3-carboxylic acid;4-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;4-[2-(7-bromo-1,3-benzoxazol-2-yl)-2-oxoethyl]-2-(4-chlorophenyl)thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(7-methyl-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(6-methyl-1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid is sourced from PubChem (CID 158718209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).