4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid

C120H80Br2Cl4N8O21S7 — CID 159764611

IUPAC4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1coc(C)c1C(=O)Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)C1=CCN=C1c1ccccc1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cscn1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1cc(-c2ccccc2)on1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(-c2ccccc2)on1.O=C(O)c1c(-c2ccc(Br)cc2)csc1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C23H16ClNO3S.C21H13BrN2O4S.C21H13ClN2O4S.C20H13BrN2O3S.C19H15ClO4S.C16H10ClNO3S2/c24-16-8-6-14(7-9-16)18-13-29-20(21(18)23(27)28)12-19(26)17-10-11-25-22(17)15-4-2-1-3-5-15;2*22-14-8-6-12(7-9-14)15-11-29-20(18(15)21(26)27)23-19(25)16-10-17(28-24-16)13-4-2-1-3-5-13;21-14-8-6-12(7-9-14)15-11-27-16(18(15)20(24)25)10-17-22-19(23-26-17)13-4-2-1-3-5-13;1-10-8-24-11(2)17(10)15(21)7-16-18(19(22)23)14(9-25-16)12-3-5-13(20)6-4-12;17-10-3-1-9(2-4-10)11-6-23-14(15(11)16(20)21)5-13(19)12-7-22-8-18-12/h1-10,13H,11-12H2,(H,27,28);2*1-11H,(H,23,25)(H,26,27);1-9,11H,10H2,(H,24,25);3-6,8-9H,7H2,1-2H3,(H,22,23);1-4,6-8H,5H2,(H,20,21)
InChIKeyNFILEXNGSIVZPI-UHFFFAOYSA-N
MW2496.08 g/mol
LogP32.33
Rot. Bonds31

About 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid

4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid (PubChem CID 159764611) has the molecular formula C120H80Br2Cl4N8O21S7 and a molecular weight of 2496.08 g/mol. Its IUPAC name is 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid.

Molecular Properties

Compound Name4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid
PubChem CID159764611
Molecular FormulaC120H80Br2Cl4N8O21S7
Molecular Weight2496.08 g/mol
Exact Mass2490.06
IUPAC Name4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid
SMILESCc1coc(C)c1C(=O)Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)C1=CCN=C1c1ccccc1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cscn1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1cc(-c2ccccc2)on1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(-c2ccccc2)on1.O=C(O)c1c(-c2ccc(Br)cc2)csc1Cc1nc(-c2ccccc2)no1
InChIInChI=1S/C23H16ClNO3S.C21H13BrN2O4S.C21H13ClN2O4S.C20H13BrN2O3S.C19H15ClO4S.C16H10ClNO3S2/c24-16-8-6-14(7-9-16)18-13-29-20(21(18)23(27)28)12-19(26)17-10-11-25-22(17)15-4-2-1-3-5-15;2*22-14-8-6-12(7-9-14)15-11-29-20(18(15)21(26)27)23-19(25)16-10-17(28-24-16)13-4-2-1-3-5-13;21-14-8-6-12(7-9-14)15-11-27-16(18(15)20(24)25)10-17-22-19(23-26-17)13-4-2-1-3-5-13;1-10-8-24-11(2)17(10)15(21)7-16-18(19(22)23)14(9-25-16)12-3-5-13(20)6-4-12;17-10-3-1-9(2-4-10)11-6-23-14(15(11)16(20)21)5-13(19)12-7-22-8-18-12/h1-10,13H,11-12H2,(H,27,28);2*1-11H,(H,23,25)(H,26,27);1-9,11H,10H2,(H,24,25);3-6,8-9H,7H2,1-2H3,(H,22,23);1-4,6-8H,5H2,(H,20,21)
InChIKeyNFILEXNGSIVZPI-UHFFFAOYSA-N
XLogP32.33
TPSA462.58 Ų
H-Bond Donors8
H-Bond Acceptors28
Rotatable Bonds31
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002496.08
LogP ≤ 532.33
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1028

Computed Properties (RDKit)

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

Analyze 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid with MolForge

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Related Compounds

Tert-butyl 4-(4-bromophenyl)-2-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylate;4-(4-chlorophenyl)-2-[2-(furan-2-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-methylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-methyl-5-phenylpyrazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(1-phenylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid
CID 157585647
2-(4-Bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(1,2-dimethylimidazole-4-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(4-methyl-1,3-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-bromophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;tert-butyl 2-(4-bromophenyl)-4-[(5-chloro-1-methylpyrazole-4-carbonyl)amino]thiophene-3-carboxylate;2-(4-chlorophenyl)-4-[(4-methyl-1,2-thiazole-5-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 158171427
4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;2-[(1,5-dimethylpyrazole-3-carbonyl)amino]-4-(4-methylphenyl)thiophene-3-carboxylic acid
CID 161208705
2-(4-bromophenyl)-4-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-(5-methyl-1-phenylimidazol-4-yl)-2-oxoethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(4-phenyl-1H-pyrrol-3-yl)ethyl]thiophene-3-carboxylic acid;2-(4-chlorophenyl)-4-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid
CID 161450420
4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(4-cyclopropyl-1,3-thiazole-2-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[[5-(furan-2-yl)-1-methylpyrazole-3-carbonyl]amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid
CID 162060148

Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid?
The IUPAC name of 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid (CID 159764611) is 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid.
What is the SMILES notation for 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid?
The canonical SMILES for 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid is Cc1coc(C)c1C(=O)Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)C1=CCN=C1c1ccccc1.O=C(Cc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cscn1.O=C(Nc1scc(-c2ccc(Br)cc2)c1C(=O)O)c1cc(-c2ccccc2)on1.O=C(Nc1scc(-c2ccc(Cl)cc2)c1C(=O)O)c1cc(-c2ccccc2)on1.O=C(O)c1c(-c2ccc(Br)cc2)csc1Cc1nc(-c2ccccc2)no1.
What is the InChIKey of 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid?
The InChIKey is NFILEXNGSIVZPI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H16ClNO3S.C21H13BrN2O4S.C21H13ClN2O4S.C20H13BrN2O3S.C19H15ClO4S.C16H10ClNO3S2/c24-16-8-6-14(7-9-16)18-13-29-20(21(18)23(27)28)12-19(26)17-10-11-25-22(17)15-4-2-1-3-5-15;2*22-14-8-6-12(7-9-14)15-11-29-20(18(15)21(26)27)23-19(25)16-10-17(28-24-16)13-4-2-1-3-5-13;21-14-8-6-12(7-9-14)15-11-27-16(18(15)20(24)25)10-17-22-19(23-26-17)13-4-2-1-3-5-13;1-10-8-24-11(2)17(10)15(21)7-16-18(19(22)23)14(9-25-16)12-3-5-13(20)6-4-12;17-10-3-1-9(2-4-10)11-6-23-14(15(11)16(20)21)5-13(19)12-7-22-8-18-12/h1-10,13H,11-12H2,(H,27,28);2*1-11H,(H,23,25)(H,26,27);1-9,11H,10H2,(H,24,25);3-6,8-9H,7H2,1-2H3,(H,22,23);1-4,6-8H,5H2,(H,20,21).
What are the key properties of 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid?
4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid has a molecular weight of 2496.08 g/mol, XLogP of 32.33, 31 rotatable bonds, 8 hydrogen bond donors, and 28 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-2-[(3-phenyl-1,2,4-oxadiazol-5-yl)methyl]thiophene-3-carboxylic acid;4-(4-bromophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-(2,4-dimethylfuran-3-yl)-2-oxoethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(5-phenyl-2H-pyrrol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[2-oxo-2-(1,3-thiazol-4-yl)ethyl]thiophene-3-carboxylic acid;4-(4-chlorophenyl)-2-[(5-phenyl-1,2-oxazole-3-carbonyl)amino]thiophene-3-carboxylic acid is sourced from PubChem (CID 159764611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).