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

C27H26N2O2 — CID 161218625

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

4,4-diphenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5H-1,3-oxazole (PubChem CID 161218625) has the molecular formula C27H26N2O2 and a molecular weight of 410.52 g/mol. Its IUPAC name is 4,4-diphenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5H-1,3-oxazole.

Molecular Properties

• Compound Name: 4,4-diphenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5H-1,3-oxazole
• PubChem CID: 161218625
• Molecular Formula: C27H26N2O2
• Molecular Weight: 410.52 g/mol
• Exact Mass: 410.20
• IUPAC Name: 4,4-diphenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5H-1,3-oxazole
• SMILES: CC(C)(C1=NC(c2ccccc2)CO1)C1=NC(c2ccccc2)(c2ccccc2)CO1
• InChI: InChI=1S/C27H26N2O2/c1-26(2,24-28-23(18-30-24)20-12-6-3-7-13-20)25-29-27(19-31-25,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23H,18-19H2,1-2H3
• InChIKey: UXFBLKFBIMQDAY-UHFFFAOYSA-N
• XLogP: 5.56
• TPSA: 43.18 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	410.52
LogP ≤ 5	5.56
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4,4-diphenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5H-1,3-oxazole (CID 161218625) is 4,4-diphenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5H-1,3-oxazole.

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

The canonical SMILES for 4,4-diphenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5H-1,3-oxazole is CC(C)(C1=NC(c2ccccc2)CO1)C1=NC(c2ccccc2)(c2ccccc2)CO1.

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

The InChIKey is UXFBLKFBIMQDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26N2O2/c1-26(2,24-28-23(18-30-24)20-12-6-3-7-13-20)25-29-27(19-31-25,21-14-8-4-9-15-21)22-16-10-5-11-17-22/h3-17,23H,18-19H2,1-2H3.

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

4,4-diphenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5H-1,3-oxazole has a molecular weight of 410.52 g/mol, XLogP of 5.56, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4,4-diphenyl-2-[2-(4-phenyl-4,5-dihydro-1,3-oxazol-2-yl)propan-2-yl]-5H-1,3-oxazole is sourced from PubChem (CID 161218625), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).