C96H131N19O15 — CID 161215570
(3R)-6-cyclohexyl-N-hydroxy-3-(5-phenyl-1,3-oxazol-2-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyridin-4-yl-1,3-oxazol-2-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)hexanamide (PubChem CID 161215570) has the molecular formula C96H131N19O15 and a molecular weight of 1791.22 g/mol. Its IUPAC name is (3R)-6-cyclohexyl-N-hydroxy-3-(5-phenyl-1,3-oxazol-2-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyridin-4-yl-1,3-oxazol-2-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)hexanamide.
| Compound Name | (3R)-6-cyclohexyl-N-hydroxy-3-(5-phenyl-1,3-oxazol-2-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyridin-4-yl-1,3-oxazol-2-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)hexanamide |
|---|---|
| PubChem CID | 161215570 |
| Molecular Formula | C96H131N19O15 |
| Molecular Weight | 1791.22 g/mol |
| Exact Mass | 1790.01 |
| IUPAC Name | (3R)-6-cyclohexyl-N-hydroxy-3-(5-phenyl-1,3-oxazol-2-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyrazin-2-yl-1,2,4-oxadiazol-3-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyridin-3-yl-1,2,4-oxadiazol-3-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyridin-4-yl-1,3-oxazol-2-yl)hexanamide;(3R)-6-cyclohexyl-N-hydroxy-3-(5-pyrimidin-5-yl-1,2,4-oxadiazol-3-yl)hexanamide |
| SMILES | O=C(C[C@@H](CCCC1CCCCC1)c1ncc(-c2ccccc2)o1)NO.O=C(C[C@@H](CCCC1CCCCC1)c1ncc(-c2ccncc2)o1)NO.O=C(C[C@@H](CCCC1CCCCC1)c1noc(-c2cccnc2)n1)NO.O=C(C[C@@H](CCCC1CCCCC1)c1noc(-c2cnccn2)n1)NO.O=C(C[C@@H](CCCC1CCCCC1)c1noc(-c2cncnc2)n1)NO |
| InChI | InChI=1S/C21H28N2O3.C20H27N3O3.C19H26N4O3.2C18H25N5O3/c24-20(23-25)14-18(13-7-10-16-8-3-1-4-9-16)21-22-15-19(26-21)17-11-5-2-6-12-17;24-19(23-25)13-17(8-4-7-15-5-2-1-3-6-15)20-22-14-18(26-20)16-9-11-21-12-10-16;24-17(22-25)12-15(9-4-8-14-6-2-1-3-7-14)18-21-19(26-23-18)16-10-5-11-20-13-16;24-16(22-25)9-14(8-4-7-13-5-2-1-3-6-13)17-21-18(26-23-17)15-10-19-12-20-11-15;24-16(22-25)11-14(8-4-7-13-5-2-1-3-6-13)17-21-18(26-23-17)15-12-19-9-10-20-15/h2,5-6,11-12,15-16,18,25H,1,3-4,7-10,13-14H2,(H,23,24);9-12,14-15,17,25H,1-8,13H2,(H,23,24);5,10-11,13-15,25H,1-4,6-9,12H2,(H,22,24);10-14,25H,1-9H2,(H,22,24);9-10,12-14,25H,1-8,11H2,(H,22,24)/t18-;17-;15-;2*14-/m11111/s1 |
| InChIKey | UWUUBOBHPSECRJ-AHCTZMOHSA-N |
| XLogP | 19.91 |
| TPSA | 492.81 Ų |
| H-Bond Donors | 10 |
| H-Bond Acceptors | 29 |
| Rotatable Bonds | 40 |
| Heavy Atoms | 130 |
| Complexity | — |
4 violations
| Rule | Value |
|---|---|
| MW ≤ 500 | 1791.22 |
| LogP ≤ 5 | 19.91 |
| H-Bond Donors ≤ 5 | 10 |
| H-Bond Acceptors ≤ 10 | 29 |
| Structural Alerts | {'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'} |
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