(4R)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole

C44H46N4O2 — CID 170932670

About (4R)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole

(4R)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole (PubChem CID 170932670) has the molecular formula C44H46N4O2 and a molecular weight of 662.88 g/mol. Its IUPAC name is (4R)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

• Compound Name: (4R)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole
• PubChem CID: 170932670
• Molecular Formula: C44H46N4O2
• Molecular Weight: 662.88 g/mol
• Exact Mass: 662.36
• IUPAC Name: (4R)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole
• SMILES: CC(C)(C)c1ccnc(N2c3ccccc3C(C)(C)c3ccc(Oc4cc(C5=N[C@H](C6CCCCC6)CO5)cc(-c5ccccn5)c4)cc32)c1
• InChI: InChI=1S/C44H46N4O2/c1-43(2,3)32-20-22-46-41(26-32)48-39-17-10-9-15-35(39)44(4,5)36-19-18-33(27-40(36)48)50-34-24-30(37-16-11-12-21-45-37)23-31(25-34)42-47-38(28-49-42)29-13-7-6-8-14-29/h9-12,15-27,29,38H,6-8,13-14,28H2,1-5H3/t38-/m0/s1
• InChIKey: MFIIWSPRTUKIRO-LHEWISCISA-N
• XLogP: 11.07
• TPSA: 59.84 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 50
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	662.88
LogP ≤ 5	11.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole?

The IUPAC name of (4R)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole (CID 170932670) is (4R)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole.

What is the SMILES notation for (4R)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole?

The canonical SMILES for (4R)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole is CC(C)(C)c1ccnc(N2c3ccccc3C(C)(C)c3ccc(Oc4cc(C5=N[C@H](C6CCCCC6)CO5)cc(-c5ccccn5)c4)cc32)c1.

What is the InChIKey of (4R)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole?

The InChIKey is MFIIWSPRTUKIRO-LHEWISCISA-N. The full InChI is InChI=1S/C44H46N4O2/c1-43(2,3)32-20-22-46-41(26-32)48-39-17-10-9-15-35(39)44(4,5)36-19-18-33(27-40(36)48)50-34-24-30(37-16-11-12-21-45-37)23-31(25-34)42-47-38(28-49-42)29-13-7-6-8-14-29/h9-12,15-27,29,38H,6-8,13-14,28H2,1-5H3/t38-/m0/s1.

What are the key properties of (4R)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole?

(4R)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole has a molecular weight of 662.88 g/mol, XLogP of 11.07, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-[3-[10-(4-tert-butyl-2-pyridinyl)-9,9-dimethylacridin-3-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 170932670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).