C217H207N33O39S3 — CID 158366620
N-[3-[(2-hydroxybenzoyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-5-methylbenzoyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[2-(2-hydroxyphenyl)acetyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[5-(2-hydroxyphenyl)-4-oxopentyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[2-(1H-indol-3-yl)acetyl]amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(N-(4-oxo-4-phenylbutyl)-5-phenyl-1,2-oxazole-3-carboxamide);N-[4-oxo-4-(1,3-thiazol-2-yl)butyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(pyridine-3-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide (PubChem CID 158366620) has the molecular formula C217H207N33O39S3 and a molecular weight of 3997.44 g/mol. Its IUPAC name is N-[3-[(2-hydroxybenzoyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-5-methylbenzoyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[2-(2-hydroxyphenyl)acetyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[5-(2-hydroxyphenyl)-4-oxopentyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[2-(1H-indol-3-yl)acetyl]amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(N-(4-oxo-4-phenylbutyl)-5-phenyl-1,2-oxazole-3-carboxamide);N-[4-oxo-4-(1,3-thiazol-2-yl)butyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(pyridine-3-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide.
| Compound Name | N-[3-[(2-hydroxybenzoyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-5-methylbenzoyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[2-(2-hydroxyphenyl)acetyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[5-(2-hydroxyphenyl)-4-oxopentyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[2-(1H-indol-3-yl)acetyl]amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(N-(4-oxo-4-phenylbutyl)-5-phenyl-1,2-oxazole-3-carboxamide);N-[4-oxo-4-(1,3-thiazol-2-yl)butyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(pyridine-3-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide |
|---|---|
| PubChem CID | 158366620 |
| Molecular Formula | C217H207N33O39S3 |
| Molecular Weight | 3997.44 g/mol |
| Exact Mass | 3994.44 |
| IUPAC Name | N-[3-[(2-hydroxybenzoyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(2-hydroxy-5-methylbenzoyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[2-(2-hydroxyphenyl)acetyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[5-(2-hydroxyphenyl)-4-oxopentyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[2-(1H-indol-3-yl)acetyl]amino]propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide;N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methyl-2-oxo-1H-pyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(N-(4-oxo-4-phenylbutyl)-5-phenyl-1,2-oxazole-3-carboxamide);N-[4-oxo-4-(1,3-thiazol-2-yl)butyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-(pyridine-3-carbonylamino)propyl]-5-thiophen-2-yl-1,2-oxazole-3-carboxamide |
| SMILES | Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)c(=O)[nH]1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)o1.Cc1ccc(O)c(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)c1.O=C(CCCNC(=O)c1cc(-c2ccccc2)on1)Cc1ccccc1O.O=C(CCCNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1.O=C(CCCNC(=O)c1cc(-c2ccccc2)on1)c1ccccc1.O=C(Cc1c[nH]c2ccccc12)NCCCNC(=O)c1cc(-c2cccs2)on1.O=C(Cc1ccccc1O)NCCCNC(=O)c1cc(-c2ccccc2)on1.O=C(NCCCC(=O)c1nccs1)c1cc(-c2ccccc2)on1.O=C(NCCCNC(=O)c1cc(-c2cccs2)on1)c1cccnc1.O=C(NCCCNC(=O)c1ccccc1O)c1cc(-c2ccccc2)on1 |
| InChI | InChI=1S/C21H20N4O3S.2C21H21N3O4.C21H20N2O4.C20H20N4O4.C20H19N3O4.2C20H18N2O3.C19H19N3O4.C17H16N4O3S.C17H15N3O3S/c26-20(11-14-13-24-16-6-2-1-5-15(14)16)22-8-4-9-23-21(27)17-12-18(28-25-17)19-7-3-10-29-19;1-14-8-9-18(25)16(12-14)20(26)22-10-5-11-23-21(27)17-13-19(28-24-17)15-6-3-2-4-7-15;25-18-10-5-4-9-16(18)13-20(26)22-11-6-12-23-21(27)17-14-19(28-24-17)15-7-2-1-3-8-15;24-17(13-16-9-4-5-11-19(16)25)10-6-12-22-21(26)18-14-20(27-23-18)15-7-2-1-3-8-15;1-13-8-9-15(19(26)23-13)18(25)21-10-5-11-22-20(27)16-12-17(28-24-16)14-6-3-2-4-7-14;24-17-10-5-4-9-15(17)19(25)21-11-6-12-22-20(26)16-13-18(27-23-16)14-7-2-1-3-8-14;2*23-18(15-8-3-1-4-9-15)12-7-13-21-20(24)17-14-19(25-22-17)16-10-5-2-6-11-16;1-13-8-9-16(25-13)19(24)21-11-5-10-20-18(23)15-12-17(26-22-15)14-6-3-2-4-7-14;22-16(12-4-1-6-18-11-12)19-7-3-8-20-17(23)13-10-14(24-21-13)15-5-2-9-25-15;21-14(17-19-9-10-24-17)7-4-8-18-16(22)13-11-15(23-20-13)12-5-2-1-3-6-12/h1-3,5-7,10,12-13,24H,4,8-9,11H2,(H,22,26)(H,23,27);2-4,6-9,12-13,25H,5,10-11H2,1H3,(H,22,26)(H,23,27);1-5,7-10,14,25H,6,11-13H2,(H,22,26)(H,23,27);1-5,7-9,11,14,25H,6,10,12-13H2,(H,22,26);2-4,6-9,12H,5,10-11H2,1H3,(H,21,25)(H,22,27)(H,23,26);1-5,7-10,13,24H,6,11-12H2,(H,21,25)(H,22,26);2*1-6,8-11,14H,7,12-13H2,(H,21,24);2-4,6-9,12H,5,10-11H2,1H3,(H,20,23)(H,21,24);1-2,4-6,9-11H,3,7-8H2,(H,19,22)(H,20,23);1-3,5-6,9-11H,4,7-8H2,(H,18,22) |
| InChIKey | GUCLGKOHXPYSBJ-UHFFFAOYSA-N |
| XLogP | 32.45 |
| TPSA | 1046.90 Ų |
| H-Bond Donors | 24 |
| H-Bond Acceptors | 55 |
| Rotatable Bonds | 80 |
| Heavy Atoms | 292 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3997.44 |
| LogP ≤ 5 | 32.45 |
| H-Bond Donors ≤ 5 | 24 |
| H-Bond Acceptors ≤ 10 | 55 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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