C185H178N34O31 — CID 157361408
N-[3-(1-benzofuran-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[2-(1H-indol-3-yl)acetyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide);bis(N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide);N-[3-[(4-methylpyridine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide (PubChem CID 157361408) has the molecular formula C185H178N34O31 and a molecular weight of 3373.67 g/mol. Its IUPAC name is N-[3-(1-benzofuran-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[2-(1H-indol-3-yl)acetyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide);bis(N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide);N-[3-[(4-methylpyridine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide.
| Compound Name | N-[3-(1-benzofuran-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[2-(1H-indol-3-yl)acetyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide);bis(N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide);N-[3-[(4-methylpyridine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide |
|---|---|
| PubChem CID | 157361408 |
| Molecular Formula | C185H178N34O31 |
| Molecular Weight | 3373.67 g/mol |
| Exact Mass | 3371.34 |
| IUPAC Name | N-[3-(1-benzofuran-2-carbonylamino)propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[[2-(1H-indol-3-yl)acetyl]amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;bis(N-[3-[(5-methylfuran-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide);bis(N-[3-[(6-methylpyrazine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide);N-[3-[(4-methylpyridine-2-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;N-[3-[(6-methylpyridine-3-carbonyl)amino]propyl]-5-phenyl-1,2-oxazole-3-carboxamide;5-phenyl-N-[3-[(3-phenylfuran-2-carbonyl)amino]propyl]-1,2-oxazole-3-carboxamide |
| SMILES | Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)cn1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)o1.Cc1ccc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)o1.Cc1ccnc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)c1.Cc1cncc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)n1.Cc1cncc(C(=O)NCCCNC(=O)c2cc(-c3ccccc3)on2)n1.O=C(Cc1c[nH]c2ccccc12)NCCCNC(=O)c1cc(-c2ccccc2)on1.O=C(NCCCNC(=O)c1cc2ccccc2o1)c1cc(-c2ccccc2)on1.O=C(NCCCNC(=O)c1occc1-c1ccccc1)c1cc(-c2ccccc2)on1 |
| InChI | InChI=1S/C24H21N3O4.C23H22N4O3.C22H19N3O4.2C20H20N4O3.2C19H19N5O3.2C19H19N3O4/c28-23(20-16-21(31-27-20)18-10-5-2-6-11-18)25-13-7-14-26-24(29)22-19(12-15-30-22)17-8-3-1-4-9-17;28-22(13-17-15-26-19-10-5-4-9-18(17)19)24-11-6-12-25-23(29)20-14-21(30-27-20)16-7-2-1-3-8-16;26-21(17-14-19(29-25-17)15-7-2-1-3-8-15)23-11-6-12-24-22(27)20-13-16-9-4-5-10-18(16)28-20;1-14-8-9-16(13-23-14)19(25)21-10-5-11-22-20(26)17-12-18(27-24-17)15-6-3-2-4-7-15;1-14-8-11-21-16(12-14)19(25)22-9-5-10-23-20(26)17-13-18(27-24-17)15-6-3-2-4-7-15;2*1-13-11-20-12-16(23-13)19(26)22-9-5-8-21-18(25)15-10-17(27-24-15)14-6-3-2-4-7-14;2*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/h1-6,8-12,15-16H,7,13-14H2,(H,25,28)(H,26,29);1-5,7-10,14-15,26H,6,11-13H2,(H,24,28)(H,25,29);1-5,7-10,13-14H,6,11-12H2,(H,23,26)(H,24,27);2-4,6-9,12-13H,5,10-11H2,1H3,(H,21,25)(H,22,26);2-4,6-8,11-13H,5,9-10H2,1H3,(H,22,25)(H,23,26);2*2-4,6-7,10-12H,5,8-9H2,1H3,(H,21,25)(H,22,26);2*2-4,6-9,12H,5,10-11H2,1H3,(H,20,23)(H,21,24) |
| InChIKey | BIRIXKBVFJVSSN-UHFFFAOYSA-N |
| XLogP | 25.85 |
| TPSA | 903.76 Ų |
| H-Bond Donors | 19 |
| H-Bond Acceptors | 46 |
| Rotatable Bonds | 65 |
| Heavy Atoms | 250 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 3373.67 |
| LogP ≤ 5 | 25.85 |
| H-Bond Donors ≤ 5 | 19 |
| H-Bond Acceptors ≤ 10 | 46 |
| Structural Alerts | {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'} |
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