(4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-1-yl]-4,5-dihydro-1,3-oxazole

C34H36N2O2 — CID 11092372

About (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-1-yl]-4,5-dihydro-1,3-oxazole

(4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-1-yl]-4,5-dihydro-1,3-oxazole (PubChem CID 11092372) has the molecular formula C34H36N2O2 and a molecular weight of 504.67 g/mol. Its IUPAC name is (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-1-yl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

• Compound Name: (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-1-yl]-4,5-dihydro-1,3-oxazole
• PubChem CID: 11092372
• Molecular Formula: C34H36N2O2
• Molecular Weight: 504.67 g/mol
• Exact Mass: 504.28
• IUPAC Name: (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-1-yl]-4,5-dihydro-1,3-oxazole
• SMILES: CC(C)(C)[C@H]1COC(c2cccc3cccc(-c4cccc5cccc(C6=N[C@@H](C(C)(C)C)CO6)c45)c23)=N1
• InChI: InChI=1S/C34H36N2O2/c1-33(2,3)27-19-37-31(35-27)25-17-9-13-21-11-7-15-23(29(21)25)24-16-8-12-22-14-10-18-26(30(22)24)32-36-28(20-38-32)34(4,5)6/h7-18,27-28H,19-20H2,1-6H3/t27-,28-/m1/s1
• InChIKey: FBMYUJPHFUHPEC-VSGBNLITSA-N
• XLogP: 8.04
• TPSA: 43.18 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 3
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	504.67
LogP ≤ 5	8.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-1-yl]-4,5-dihydro-1,3-oxazole?

The IUPAC name of (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-1-yl]-4,5-dihydro-1,3-oxazole (CID 11092372) is (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-1-yl]-4,5-dihydro-1,3-oxazole.

What is the SMILES notation for (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-1-yl]-4,5-dihydro-1,3-oxazole?

The canonical SMILES for (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-1-yl]-4,5-dihydro-1,3-oxazole is CC(C)(C)[C@H]1COC(c2cccc3cccc(-c4cccc5cccc(C6=N[C@@H](C(C)(C)C)CO6)c45)c23)=N1.

What is the InChIKey of (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-1-yl]-4,5-dihydro-1,3-oxazole?

The InChIKey is FBMYUJPHFUHPEC-VSGBNLITSA-N. The full InChI is InChI=1S/C34H36N2O2/c1-33(2,3)27-19-37-31(35-27)25-17-9-13-21-11-7-15-23(29(21)25)24-16-8-12-22-14-10-18-26(30(22)24)32-36-28(20-38-32)34(4,5)6/h7-18,27-28H,19-20H2,1-6H3/t27-,28-/m1/s1.

What are the key properties of (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-1-yl]-4,5-dihydro-1,3-oxazole?

(4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-1-yl]-4,5-dihydro-1,3-oxazole has a molecular weight of 504.67 g/mol, XLogP of 8.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for (4S)-4-tert-butyl-2-[8-[8-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]naphthalen-1-yl]naphthalen-1-yl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 11092372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).