C177H169BrClFN40O36S10 — CID 159866594
N-[3-[(6-bromopyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-chloropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-hydroxypyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methoxy-2-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methyl 6-[3-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]propylcarbamoyl]pyridine-3-carboxylate;N-[3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 159866594) has the molecular formula C177H169BrClFN40O36S10 and a molecular weight of 3887.57 g/mol. Its IUPAC name is N-[3-[(6-bromopyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-chloropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-hydroxypyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methoxy-2-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methyl 6-[3-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]propylcarbamoyl]pyridine-3-carboxylate;N-[3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
| Compound Name | N-[3-[(6-bromopyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-chloropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-hydroxypyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methoxy-2-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methyl 6-[3-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]propylcarbamoyl]pyridine-3-carboxylate;N-[3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide |
|---|---|
| PubChem CID | 159866594 |
| Molecular Formula | C177H169BrClFN40O36S10 |
| Molecular Weight | 3887.57 g/mol |
| Exact Mass | 3882.87 |
| IUPAC Name | N-[3-[(6-bromopyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(4-chloropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(3-fluoropyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-hydroxypyridine-2-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methoxy-2-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(2-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;methyl 6-[3-[(5-thiophen-2-yl-1,2-oxazole-3-carbonyl)amino]propylcarbamoyl]pyridine-3-carboxylate;N-[3-[(2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide |
| SMILES | COC(=O)c1ccc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)on2)nc1.COc1ccc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)on2)c(C)n1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)on2)c(=O)[nH]1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3cccs3)on2)cn1.Cc1ncccc1C(=O)NCCCNC(=O)c1cc(-c2cccs2)on1.O=C(NCCCNC(=O)c1cc(-c2cccs2)on1)c1cc(Cl)ccn1.O=C(NCCCNC(=O)c1cc(-c2cccs2)on1)c1ccc(O)cn1.O=C(NCCCNC(=O)c1ccc[nH]c1=O)c1cc(-c2cccs2)on1.O=C(NCCCNC(=O)c1cccc(Br)n1)c1cc(-c2cccs2)on1.O=C(NCCCNC(=O)c1ncccc1F)c1cc(-c2cccs2)on1 |
| InChI | InChI=1S/C19H18N4O5S.C19H20N4O4S.C18H18N4O4S.2C18H18N4O3S.C17H15BrN4O3S.C17H15ClN4O3S.C17H15FN4O3S.2C17H16N4O4S/c1-27-19(26)12-5-6-13(22-11-12)17(24)20-7-3-8-21-18(25)14-10-15(28-23-14)16-4-2-9-29-16;1-12-13(6-7-17(22-12)26-2)18(24)20-8-4-9-21-19(25)14-11-15(27-23-14)16-5-3-10-28-16;1-11-5-6-12(17(24)21-11)16(23)19-7-3-8-20-18(25)13-10-14(26-22-13)15-4-2-9-27-15;1-12-13(5-2-7-19-12)17(23)20-8-4-9-21-18(24)14-11-15(25-22-14)16-6-3-10-26-16;1-12-5-6-13(11-21-12)17(23)19-7-3-8-20-18(24)14-10-15(25-22-14)16-4-2-9-26-16;18-15-6-1-4-11(21-15)16(23)19-7-3-8-20-17(24)12-10-13(25-22-12)14-5-2-9-26-14;18-11-4-7-19-12(9-11)16(23)20-5-2-6-21-17(24)13-10-14(25-22-13)15-3-1-8-26-15;18-11-4-1-6-19-15(11)17(24)21-8-3-7-20-16(23)12-10-13(25-22-12)14-5-2-9-26-14;22-15-11(4-1-6-18-15)16(23)19-7-3-8-20-17(24)12-10-13(25-21-12)14-5-2-9-26-14;22-11-4-5-12(20-10-11)16(23)18-6-2-7-19-17(24)13-9-14(25-21-13)15-3-1-8-26-15/h2,4-6,9-11H,3,7-8H2,1H3,(H,20,24)(H,21,25);3,5-7,10-11H,4,8-9H2,1-2H3,(H,20,24)(H,21,25);2,4-6,9-10H,3,7-8H2,1H3,(H,19,23)(H,20,25)(H,21,24);2-3,5-7,10-11H,4,8-9H2,1H3,(H,20,23)(H,21,24);2,4-6,9-11H,3,7-8H2,1H3,(H,19,23)(H,20,24);1-2,4-6,9-10H,3,7-8H2,(H,19,23)(H,20,24);1,3-4,7-10H,2,5-6H2,(H,20,23)(H,21,24);1-2,4-6,9-10H,3,7-8H2,(H,20,23)(H,21,24);1-2,4-6,9-10H,3,7-8H2,(H,18,22)(H,19,23)(H,20,24);1,3-5,8-10,22H,2,6-7H2,(H,18,23)(H,19,24) |
| InChIKey | NRUOUAXGPZCTIJ-UHFFFAOYSA-N |
| XLogP | 24.36 |
| TPSA | 1066.90 Ų |
| H-Bond Donors | 23 |
| H-Bond Acceptors | 64 |
| Rotatable Bonds | 72 |
| Heavy Atoms | 266 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3887.57 |
| LogP ≤ 5 | 24.36 |
| H-Bond Donors ≤ 5 | 23 |
| H-Bond Acceptors ≤ 10 | 64 |
| Structural Alerts | {'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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