2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole

C35H34N2O2 — CID 155889518

About 2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole

2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole (PubChem CID 155889518) has the molecular formula C35H34N2O2 and a molecular weight of 514.67 g/mol. Its IUPAC name is 2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole.

Molecular Properties

• Compound Name: 2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
• PubChem CID: 155889518
• Molecular Formula: C35H34N2O2
• Molecular Weight: 514.67 g/mol
• Exact Mass: 514.26
• IUPAC Name: 2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole
• SMILES: CCC(CC)(C1=NC(c2ccccc2)C(c2ccccc2)O1)C1=NC(c2ccccc2)C(c2ccccc2)O1
• InChI: InChI=1S/C35H34N2O2/c1-3-35(4-2,33-36-29(25-17-9-5-10-18-25)31(38-33)27-21-13-7-14-22-27)34-37-30(26-19-11-6-12-20-26)32(39-34)28-23-15-8-16-24-28/h5-24,29-32H,3-4H2,1-2H3
• InChIKey: XXPKGELVQQVIOF-UHFFFAOYSA-N
• XLogP: 8.62
• TPSA: 43.18 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	514.67
LogP ≤ 5	8.62
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole?

The IUPAC name of 2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole (CID 155889518) is 2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole.

What is the SMILES notation for 2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole?

The canonical SMILES for 2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole is CCC(CC)(C1=NC(c2ccccc2)C(c2ccccc2)O1)C1=NC(c2ccccc2)C(c2ccccc2)O1.

What is the InChIKey of 2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole?

The InChIKey is XXPKGELVQQVIOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H34N2O2/c1-3-35(4-2,33-36-29(25-17-9-5-10-18-25)31(38-33)27-21-13-7-14-22-27)34-37-30(26-19-11-6-12-20-26)32(39-34)28-23-15-8-16-24-28/h5-24,29-32H,3-4H2,1-2H3.

What are the key properties of 2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole?

2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole has a molecular weight of 514.67 g/mol, XLogP of 8.62, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[3-(4,5-diphenyl-4,5-dihydro-1,3-oxazol-2-yl)pentan-3-yl]-4,5-diphenyl-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 155889518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).