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

C24H28N2O2 — CID 123940471

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

4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole (PubChem CID 123940471) has the molecular formula C24H28N2O2 and a molecular weight of 376.50 g/mol. Its IUPAC name is 4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole.

Molecular Properties

• Compound Name: 4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
• PubChem CID: 123940471
• Molecular Formula: C24H28N2O2
• Molecular Weight: 376.50 g/mol
• Exact Mass: 376.22
• IUPAC Name: 4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole
• SMILES: CC(C)C1COC(c2ccccc2-c2ccccc2C2=NC(C(C)C)CO2)=N1
• InChI: InChI=1S/C24H28N2O2/c1-15(2)21-13-27-23(25-21)19-11-7-5-9-17(19)18-10-6-8-12-20(18)24-26-22(14-28-24)16(3)4/h5-12,15-16,21-22H,13-14H2,1-4H3
• InChIKey: HAHCPONBNWDDSA-UHFFFAOYSA-N
• XLogP: 4.96
• TPSA: 43.18 Ų
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	376.50
LogP ≤ 5	4.96
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole (CID 123940471) is 4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole.

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

The canonical SMILES for 4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole is CC(C)C1COC(c2ccccc2-c2ccccc2C2=NC(C(C)C)CO2)=N1.

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

The InChIKey is HAHCPONBNWDDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N2O2/c1-15(2)21-13-27-23(25-21)19-11-7-5-9-17(19)18-10-6-8-12-20(18)24-26-22(14-28-24)16(3)4/h5-12,15-16,21-22H,13-14H2,1-4H3.

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

4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole has a molecular weight of 376.50 g/mol, XLogP of 4.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 4-propan-2-yl-2-[2-[2-(4-propan-2-yl-4,5-dihydro-1,3-oxazol-2-yl)phenyl]phenyl]-4,5-dihydro-1,3-oxazole is sourced from PubChem (CID 123940471), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).