4-(1-benzofuran-5-yl)-2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methoxy-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-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

C149H91ClF12N8O30S7 — CID 158455376

IUPAC4-(1-benzofuran-5-yl)-2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methoxy-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-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
SMILESCOc1cc(C(F)(F)F)ccc1-c1csc(CC(=O)c2nc3ccccc3o2)c1C(=O)O.Cc1cc(C(F)(F)F)ccc1-c1csc(CC(=O)c2nc3ccccc3o2)c1C(=O)O.O=C(Cc1scc(-c2ccc(C(F)(F)F)cc2)c1C(=O)O)c1nc2ccccc2o1.O=C(Cc1scc(-c2ccc(F)cc2F)c1C(=O)O)c1nc2ccccc2o1.O=C(Cc1scc(-c2ccc3c(c2)CCC3)c1C(=O)O)c1nc2ccccc2o1.O=C(Cc1scc(-c2ccc3occc3c2)c1C(=O)O)c1nc2ccccc2o1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2cccc(F)c2o1
InChIInChI=1S/C23H17NO4S.C22H14F3NO5S.C22H14F3NO4S.C22H13NO5S.C21H12F3NO4S.C20H11F2NO4S.C19H10ClFN2O4S/c25-18(22-24-17-6-1-2-7-19(17)28-22)11-20-21(23(26)27)16(12-29-20)15-9-8-13-4-3-5-14(13)10-15;1-30-17-8-11(22(23,24)25)6-7-12(17)13-10-32-18(19(13)21(28)29)9-15(27)20-26-14-4-2-3-5-16(14)31-20;1-11-8-12(22(23,24)25)6-7-13(11)14-10-31-18(19(14)21(28)29)9-16(27)20-26-15-4-2-3-5-17(15)30-20;24-16(21-23-15-3-1-2-4-18(15)28-21)10-19-20(22(25)26)14(11-29-19)12-5-6-17-13(9-12)7-8-27-17;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;21-10-5-6-11(13(22)7-10)12-9-28-17(18(12)20(25)26)8-15(24)19-23-14-3-1-2-4-16(14)27-19;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/h1-2,6-10,12H,3-5,11H2,(H,26,27);2-8,10H,9H2,1H3,(H,28,29);2-8,10H,9H2,1H3,(H,28,29);1-9,11H,10H2,(H,25,26);1-8,10H,9H2,(H,27,28);1-7,9H,8H2,(H,25,26);1-8H,(H,23,24)(H,25,26)
InChIKeyHEMROCDZNSNBPK-UHFFFAOYSA-N
MW2961.29 g/mol
LogP38.27
Rot. Bonds35

About 4-(1-benzofuran-5-yl)-2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methoxy-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-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-(1-benzofuran-5-yl)-2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methoxy-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-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 (PubChem CID 158455376) has the molecular formula C149H91ClF12N8O30S7 and a molecular weight of 2961.29 g/mol. Its IUPAC name is 4-(1-benzofuran-5-yl)-2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methoxy-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-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.

Molecular Properties

Compound Name4-(1-benzofuran-5-yl)-2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methoxy-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-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
PubChem CID158455376
Molecular FormulaC149H91ClF12N8O30S7
Molecular Weight2961.29 g/mol
Exact Mass2958.34
IUPAC Name4-(1-benzofuran-5-yl)-2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methoxy-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-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
SMILESCOc1cc(C(F)(F)F)ccc1-c1csc(CC(=O)c2nc3ccccc3o2)c1C(=O)O.Cc1cc(C(F)(F)F)ccc1-c1csc(CC(=O)c2nc3ccccc3o2)c1C(=O)O.O=C(Cc1scc(-c2ccc(C(F)(F)F)cc2)c1C(=O)O)c1nc2ccccc2o1.O=C(Cc1scc(-c2ccc(F)cc2F)c1C(=O)O)c1nc2ccccc2o1.O=C(Cc1scc(-c2ccc3c(c2)CCC3)c1C(=O)O)c1nc2ccccc2o1.O=C(Cc1scc(-c2ccc3occc3c2)c1C(=O)O)c1nc2ccccc2o1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2cccc(F)c2o1
InChIInChI=1S/C23H17NO4S.C22H14F3NO5S.C22H14F3NO4S.C22H13NO5S.C21H12F3NO4S.C20H11F2NO4S.C19H10ClFN2O4S/c25-18(22-24-17-6-1-2-7-19(17)28-22)11-20-21(23(26)27)16(12-29-20)15-9-8-13-4-3-5-14(13)10-15;1-30-17-8-11(22(23,24)25)6-7-12(17)13-10-32-18(19(13)21(28)29)9-15(27)20-26-14-4-2-3-5-16(14)31-20;1-11-8-12(22(23,24)25)6-7-13(11)14-10-31-18(19(14)21(28)29)9-16(27)20-26-15-4-2-3-5-17(15)30-20;24-16(21-23-15-3-1-2-4-18(15)28-21)10-19-20(22(25)26)14(11-29-19)12-5-6-17-13(9-12)7-8-27-17;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;21-10-5-6-11(13(22)7-10)12-9-28-17(18(12)20(25)26)8-15(24)19-23-14-3-1-2-4-16(14)27-19;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/h1-2,6-10,12H,3-5,11H2,(H,26,27);2-8,10H,9H2,1H3,(H,28,29);2-8,10H,9H2,1H3,(H,28,29);1-9,11H,10H2,(H,25,26);1-8,10H,9H2,(H,27,28);1-7,9H,8H2,(H,25,26);1-8H,(H,23,24)(H,25,26)
InChIKeyHEMROCDZNSNBPK-UHFFFAOYSA-N
XLogP38.27
TPSA597.20 Ų
H-Bond Donors8
H-Bond Acceptors37
Rotatable Bonds35
Heavy Atoms207
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002961.29
LogP ≤ 538.27
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiophene_amino_Ab(40)', 'substructure': 'N/A'}

Analyze 4-(1-benzofuran-5-yl)-2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methoxy-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-5-yl)-2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methoxy-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-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?
The IUPAC name of 4-(1-benzofuran-5-yl)-2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methoxy-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-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 (CID 158455376) is 4-(1-benzofuran-5-yl)-2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methoxy-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-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.
What is the SMILES notation for 4-(1-benzofuran-5-yl)-2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methoxy-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-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?
The canonical SMILES for 4-(1-benzofuran-5-yl)-2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methoxy-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-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 is COc1cc(C(F)(F)F)ccc1-c1csc(CC(=O)c2nc3ccccc3o2)c1C(=O)O.Cc1cc(C(F)(F)F)ccc1-c1csc(CC(=O)c2nc3ccccc3o2)c1C(=O)O.O=C(Cc1scc(-c2ccc(C(F)(F)F)cc2)c1C(=O)O)c1nc2ccccc2o1.O=C(Cc1scc(-c2ccc(F)cc2F)c1C(=O)O)c1nc2ccccc2o1.O=C(Cc1scc(-c2ccc3c(c2)CCC3)c1C(=O)O)c1nc2ccccc2o1.O=C(Cc1scc(-c2ccc3occc3c2)c1C(=O)O)c1nc2ccccc2o1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1nc2cccc(F)c2o1.
What is the InChIKey of 4-(1-benzofuran-5-yl)-2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methoxy-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-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?
The InChIKey is HEMROCDZNSNBPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4S.C22H14F3NO5S.C22H14F3NO4S.C22H13NO5S.C21H12F3NO4S.C20H11F2NO4S.C19H10ClFN2O4S/c25-18(22-24-17-6-1-2-7-19(17)28-22)11-20-21(23(26)27)16(12-29-20)15-9-8-13-4-3-5-14(13)10-15;1-30-17-8-11(22(23,24)25)6-7-12(17)13-10-32-18(19(13)21(28)29)9-15(27)20-26-14-4-2-3-5-16(14)31-20;1-11-8-12(22(23,24)25)6-7-13(11)14-10-31-18(19(14)21(28)29)9-16(27)20-26-15-4-2-3-5-17(15)30-20;24-16(21-23-15-3-1-2-4-18(15)28-21)10-19-20(22(25)26)14(11-29-19)12-5-6-17-13(9-12)7-8-27-17;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;21-10-5-6-11(13(22)7-10)12-9-28-17(18(12)20(25)26)8-15(24)19-23-14-3-1-2-4-16(14)27-19;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/h1-2,6-10,12H,3-5,11H2,(H,26,27);2-8,10H,9H2,1H3,(H,28,29);2-8,10H,9H2,1H3,(H,28,29);1-9,11H,10H2,(H,25,26);1-8,10H,9H2,(H,27,28);1-7,9H,8H2,(H,25,26);1-8H,(H,23,24)(H,25,26).
What are the key properties of 4-(1-benzofuran-5-yl)-2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methoxy-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-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-(1-benzofuran-5-yl)-2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methoxy-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-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 has a molecular weight of 2961.29 g/mol, XLogP of 38.27, 35 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-5-yl)-2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,4-difluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(2,3-dihydro-1H-inden-5-yl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methoxy-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-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 is sourced from PubChem (CID 158455376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).