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-chloro-4-(trifluoromethyl)phenyl]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

C130H80ClF11N6O26S6 — CID 157331763

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-chloro-4-(trifluoromethyl)phenyl]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
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)cc2Cl)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
InChIInChI=1S/C23H17NO4S.C22H14F3NO5S.C22H14F3NO4S.C22H13NO5S.C21H11ClF3NO4S.C20H11F2NO4S/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;22-13-7-10(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;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/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);1-7,9H,8H2,(H,28,29);1-7,9H,8H2,(H,25,26)
InChIKeyBFJHRRDUSLHQFV-UHFFFAOYSA-N
MW2578.92 g/mol
LogP33.62
Rot. Bonds31

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-chloro-4-(trifluoromethyl)phenyl]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

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-chloro-4-(trifluoromethyl)phenyl]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 (PubChem CID 157331763) has the molecular formula C130H80ClF11N6O26S6 and a molecular weight of 2578.92 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-chloro-4-(trifluoromethyl)phenyl]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.

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-chloro-4-(trifluoromethyl)phenyl]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
PubChem CID157331763
Molecular FormulaC130H80ClF11N6O26S6
Molecular Weight2578.92 g/mol
Exact Mass2576.30
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-chloro-4-(trifluoromethyl)phenyl]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
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)cc2Cl)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
InChIInChI=1S/C23H17NO4S.C22H14F3NO5S.C22H14F3NO4S.C22H13NO5S.C21H11ClF3NO4S.C20H11F2NO4S/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;22-13-7-10(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;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/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);1-7,9H,8H2,(H,28,29);1-7,9H,8H2,(H,25,26)
InChIKeyBFJHRRDUSLHQFV-UHFFFAOYSA-N
XLogP33.62
TPSA504.77 Ų
H-Bond Donors6
H-Bond Acceptors32
Rotatable Bonds31
Heavy Atoms180
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002578.92
LogP ≤ 533.62
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1032

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-chloro-4-(trifluoromethyl)phenyl]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 with MolForge

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Related Compounds

2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-[2-methyl-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid
CID 58295458
2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(4-chloro-2-methylphenyl)thiophene-3-carboxylic acid
CID 58295540
2-(1,3-benzoxazole-2-carbonylamino)-4-(3-fluoro-4-methylphenyl)thiophene-3-carboxylic acid;2-(1,3-benzoxazole-2-carbonylamino)-4-(2,3,4-trifluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(4-chloro-2-fluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(4-chloro-3-fluorophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(4-chloro-3-isocyanophenyl)thiophene-3-carboxylic acid;2-[2-(1,3-benzoxazol-2-yl)-2-oxoethyl]-4-(4-chloro-3-methoxyphenyl)thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(7-methyl-1,3-benzoxazole-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 161247084
2-[2-(1-benzofuran-2-yl)-2-oxoethyl]-4-(4-chloro-3,5-difluorophenyl)thiophene-3-carboxylic acid
CID 58295311
4-(1-benzofuran-2-yl)-2-(1,3-benzothiazole-2-carbonylamino)thiophene-3-carboxylic acid;2-(1,3-benzothiazole-2-carbonylamino)-4-[2-fluoro-4-(trifluoromethyl)phenyl]thiophene-3-carboxylic acid;4-(4-chloro-2-fluorophenyl)-2-[(6-methyl-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(6-methyl-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-[(4-fluoro-1,3-benzothiazole-2-carbonyl)amino]-4-(2-fluoro-4-methylphenyl)thiophene-3-carboxylic acid;4-(2-fluoro-4-methylphenyl)-2-[(6-methyl-1,3-benzothiazole-2-carbonyl)amino]thiophene-3-carboxylic acid
CID 159243303
2-(1,3-benzoxazole-2-carbonylamino)-4-(2-fluoro-4-methylphenyl)thiophene-3-carboxylic acid
CID 58295584
2-(1,3-benzoxazole-2-carbonylamino)-4-[(2,5-difluorophenyl)methyl]thiophene-3-carboxylic acid;chloromethane;ethane
CID 143954464
2,4-difluoro-1-[2-methyl-4-(trifluoromethyl)phenyl]benzene
CID 169072337
2-[2-(1,2,3-benzothiadiazol-5-yl)-2-oxoethyl]-4-(4-chloro-3-methoxyphenyl)thiophene-3-carboxylic acid
CID 157201676
4-[5-[2-(4,5-dihydro-1,2-oxazol-3-ylmethyl)-4-(trifluoromethyl)phenyl]-2-fluoro-4-methoxyphenyl]-3-methylbenzoic acid
CID 145010704
ethyl 6-[2-chloro-4-(trifluoromethyl)phenyl]-2,4-dimethylquinoline-3-carboxylate
CID 154264775
(2S)-2-[5-(2,4-difluorophenyl)-1,3-benzoxazol-2-yl]-N-(2-methoxyphenyl)pyrrolidine-1-carboxamide
CID 93016082

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-chloro-4-(trifluoromethyl)phenyl]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?
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-chloro-4-(trifluoromethyl)phenyl]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 (CID 157331763) 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-chloro-4-(trifluoromethyl)phenyl]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.
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-chloro-4-(trifluoromethyl)phenyl]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?
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-chloro-4-(trifluoromethyl)phenyl]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 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)cc2Cl)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.
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-chloro-4-(trifluoromethyl)phenyl]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?
The InChIKey is BFJHRRDUSLHQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H17NO4S.C22H14F3NO5S.C22H14F3NO4S.C22H13NO5S.C21H11ClF3NO4S.C20H11F2NO4S/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;22-13-7-10(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;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/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);1-7,9H,8H2,(H,28,29);1-7,9H,8H2,(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-chloro-4-(trifluoromethyl)phenyl]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?
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-chloro-4-(trifluoromethyl)phenyl]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 has a molecular weight of 2578.92 g/mol, XLogP of 33.62, 31 rotatable bonds, 6 hydrogen bond donors, and 32 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-chloro-4-(trifluoromethyl)phenyl]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 is sourced from PubChem (CID 157331763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).