(4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole

C45H48N4O2 — CID 170934775

About (4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole

(4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole (PubChem CID 170934775) has the molecular formula C45H48N4O2 and a molecular weight of 676.91 g/mol. Its IUPAC name is (4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

• Compound Name: (4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole
• PubChem CID: 170934775
• Molecular Formula: C45H48N4O2
• Molecular Weight: 676.91 g/mol
• Exact Mass: 676.38
• IUPAC Name: (4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole
• SMILES: CC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)C)cc3c3ccc(Oc4cc(C5=N[C@H](C6CCCCC6)CO5)cc(-c5ccccn5)c4)cc32)c1
• InChI: InChI=1S/C45H48N4O2/c1-44(2,3)32-15-18-40-37(25-32)36-17-16-34(27-41(36)49(40)42-26-33(19-21-47-42)45(4,5)6)51-35-23-30(38-14-10-11-20-46-38)22-31(24-35)43-48-39(28-50-43)29-12-8-7-9-13-29/h10-11,14-27,29,39H,7-9,12-13,28H2,1-6H3/t39-/m0/s1
• InChIKey: PEIAFMIIXMIZAB-KDXMTYKHSA-N
• XLogP: 11.35
• TPSA: 61.53 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 51
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	676.91
LogP ≤ 5	11.35
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole?

The IUPAC name of (4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole (CID 170934775) is (4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole.

What is the SMILES notation for (4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole?

The canonical SMILES for (4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole is CC(C)(C)c1ccnc(-n2c3ccc(C(C)(C)C)cc3c3ccc(Oc4cc(C5=N[C@H](C6CCCCC6)CO5)cc(-c5ccccn5)c4)cc32)c1.

What is the InChIKey of (4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole?

The InChIKey is PEIAFMIIXMIZAB-KDXMTYKHSA-N. The full InChI is InChI=1S/C45H48N4O2/c1-44(2,3)32-15-18-40-37(25-32)36-17-16-34(27-41(36)49(40)42-26-33(19-21-47-42)45(4,5)6)51-35-23-30(38-14-10-11-20-46-38)22-31(24-35)43-48-39(28-50-43)29-12-8-7-9-13-29/h10-11,14-27,29,39H,7-9,12-13,28H2,1-6H3/t39-/m0/s1.

What are the key properties of (4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole?

(4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole has a molecular weight of 676.91 g/mol, XLogP of 11.35, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4R)-2-[3-[6-tert-butyl-9-(4-tert-butyl-2-pyridinyl)carbazol-2-yl]oxy-5-pyridin-2-ylphenyl]-4-cyclohexyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 170934775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).