magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 5-bromo-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;trimethylalumane;bromide

C67H82AlBr2MgN15O11 — CID 158937271

About magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 5-bromo-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;trimethylalumane;bromide

magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 5-bromo-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;trimethylalumane;bromide (PubChem CID 158937271) has the molecular formula C67H82AlBr2MgN15O11 and a molecular weight of 1484.58 g/mol. Its IUPAC name is magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 5-bromo-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;trimethylalumane;bromide.

Molecular Properties

• Compound Name: magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 5-bromo-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;trimethylalumane;bromide
• PubChem CID: 158937271
• Molecular Formula: C67H82AlBr2MgN15O11
• Molecular Weight: 1484.58 g/mol
• Exact Mass: 1481.44
• IUPAC Name: magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 5-bromo-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;trimethylalumane;bromide
• SMILES: COC(=O)c1nc([C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)oc1Br.COC(=O)c1nc([C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)oc1C.C[Al](C)C.Cc1oc([C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)nc1C(C)(C)O.[Br-].[CH3-].[Mg+2]
• InChI: InChI=1S/C22H27N5O3.C21H23N5O4.C20H20BrN5O4.4CH3.Al.BrH.Mg/c1-14-9-10-16(20-25-19(15(2)30-20)22(3,4)29)13-26(14)21(28)17-7-5-6-8-18(17)27-23-11-12-24-27;1-13-8-9-15(19-24-18(14(2)30-19)21(28)29-3)12-25(13)20(27)16-6-4-5-7-17(16)26-22-10-11-23-26;1-12-7-8-13(18-24-16(17(21)30-18)20(28)29-2)11-25(12)19(27)14-5-3-4-6-15(14)26-22-9-10-23-26;;;;;;;/h5-8,11-12,14,16,29H,9-10,13H2,1-4H3;4-7,10-11,13,15H,8-9,12H2,1-3H3;3-6,9-10,12-13H,7-8,11H2,1-2H3;4*1H3;;1H;/q;;;;;;-1;;;+2/p-1/t14-,16-;13-,15-;12-,13-;;;;;;;/m111......./s1
• InChIKey: BNNSQMCEHAHRDR-QJGPLABZSA-M
• XLogP: 7.61
• TPSA: 303.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 23
• Rotatable Bonds: 12
• Heavy Atoms: 97
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1484.58
LogP ≤ 5	7.61
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Carbo_cation/anion', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 5-bromo-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;trimethylalumane;bromide?

The IUPAC name of magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 5-bromo-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;trimethylalumane;bromide (CID 158937271) is magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 5-bromo-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;trimethylalumane;bromide.

What is the SMILES notation for magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 5-bromo-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;trimethylalumane;bromide?

The canonical SMILES for magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 5-bromo-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;trimethylalumane;bromide is COC(=O)c1nc([C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)oc1Br.COC(=O)c1nc([C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)oc1C.C[Al](C)C.Cc1oc([C@@H]2CC[C@@H](C)N(C(=O)c3ccccc3-n3nccn3)C2)nc1C(C)(C)O.[Br-].[CH3-].[Mg+2].

What is the InChIKey of magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 5-bromo-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;trimethylalumane;bromide?

The InChIKey is BNNSQMCEHAHRDR-QJGPLABZSA-M. The full InChI is InChI=1S/C22H27N5O3.C21H23N5O4.C20H20BrN5O4.4CH3.Al.BrH.Mg/c1-14-9-10-16(20-25-19(15(2)30-20)22(3,4)29)13-26(14)21(28)17-7-5-6-8-18(17)27-23-11-12-24-27;1-13-8-9-15(19-24-18(14(2)30-19)21(28)29-3)12-25(13)20(27)16-6-4-5-7-17(16)26-22-10-11-23-26;1-12-7-8-13(18-24-16(17(21)30-18)20(28)29-2)11-25(12)19(27)14-5-3-4-6-15(14)26-22-9-10-23-26;;;;;;;/h5-8,11-12,14,16,29H,9-10,13H2,1-4H3;4-7,10-11,13,15H,8-9,12H2,1-3H3;3-6,9-10,12-13H,7-8,11H2,1-2H3;4*1H3;;1H;/q;;;;;;-1;;;+2/p-1/t14-,16-;13-,15-;12-,13-;;;;;;;/m111......./s1.

What are the key properties of magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 5-bromo-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;trimethylalumane;bromide?

magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 5-bromo-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;trimethylalumane;bromide has a molecular weight of 1484.58 g/mol, XLogP of 7.61, 12 rotatable bonds, 1 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for magnesium;carbanide;[(2R,5R)-5-[4-(2-hydroxypropan-2-yl)-5-methyl-1,3-oxazol-2-yl]-2-methylpiperidin-1-yl]-[2-(triazol-2-yl)phenyl]methanone;methyl 5-bromo-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;methyl 5-methyl-2-[(3R,6R)-6-methyl-1-[2-(triazol-2-yl)benzoyl]piperidin-3-yl]-1,3-oxazole-4-carboxylate;trimethylalumane;bromide is sourced from PubChem (CID 158937271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).