(4R)-2-[[(4R)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole;nickel(2+);dibromide

C17H30Br2N2NiO2 — CID 21131587

About (4R)-2-[[(4R)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole;nickel(2+);dibromide

(4R)-2-[[(4R)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole;nickel(2+);dibromide (PubChem CID 21131587) has the molecular formula C17H30Br2N2NiO2 and a molecular weight of 512.94 g/mol. Its IUPAC name is (4R)-2-[[(4R)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole;nickel(2+);dibromide.

Molecular Properties

• Compound Name: (4R)-2-[[(4R)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole;nickel(2+);dibromide
• PubChem CID: 21131587
• Molecular Formula: C17H30Br2N2NiO2
• Molecular Weight: 512.94 g/mol
• Exact Mass: 510.00
• IUPAC Name: (4R)-2-[[(4R)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole;nickel(2+);dibromide
• SMILES: CC(C)[C@H]1N=C(CC2=N[C@H](C(C)C)C(C)(C)O2)OC1(C)C.[Br-].[Br-].[Ni+2]
• InChI: InChI=1S/C17H30N2O2.2BrH.Ni/c1-10(2)14-16(5,6)20-12(18-14)9-13-19-15(11(3)4)17(7,8)21-13;;;/h10-11,14-15H,9H2,1-8H3;2*1H;/q;;;+2/p-2/t14-,15-;;;/m1.../s1
• InChIKey: SGBYAXYEGUGJIB-OLVQSPPGSA-L
• XLogP: -2.15
• TPSA: 43.18 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	512.94
LogP ≤ 5	-2.15
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[[(4R)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole;nickel(2+);dibromide?

The IUPAC name of (4R)-2-[[(4R)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole;nickel(2+);dibromide (CID 21131587) is (4R)-2-[[(4R)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole;nickel(2+);dibromide.

What is the SMILES notation for (4R)-2-[[(4R)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole;nickel(2+);dibromide?

The canonical SMILES for (4R)-2-[[(4R)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole;nickel(2+);dibromide is CC(C)[C@H]1N=C(CC2=N[C@H](C(C)C)C(C)(C)O2)OC1(C)C.[Br-].[Br-].[Ni+2].

What is the InChIKey of (4R)-2-[[(4R)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole;nickel(2+);dibromide?

The InChIKey is SGBYAXYEGUGJIB-OLVQSPPGSA-L. The full InChI is InChI=1S/C17H30N2O2.2BrH.Ni/c1-10(2)14-16(5,6)20-12(18-14)9-13-19-15(11(3)4)17(7,8)21-13;;;/h10-11,14-15H,9H2,1-8H3;2*1H;/q;;;+2/p-2/t14-,15-;;;/m1.../s1.

What are the key properties of (4R)-2-[[(4R)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole;nickel(2+);dibromide?

(4R)-2-[[(4R)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole;nickel(2+);dibromide has a molecular weight of 512.94 g/mol, XLogP of -2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-[[(4R)-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazol-2-yl]methyl]-5,5-dimethyl-4-propan-2-yl-4H-1,3-oxazole;nickel(2+);dibromide is sourced from PubChem (CID 21131587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).