5-[3-[4-[1-hydroxy-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]propyl]-1,3-oxazolidine-2,4-dione

C25H26N2O5 — CID 11761871

About 5-[3-[4-[1-hydroxy-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]propyl]-1,3-oxazolidine-2,4-dione

5-[3-[4-[1-hydroxy-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]propyl]-1,3-oxazolidine-2,4-dione (PubChem CID 11761871) has the molecular formula C25H26N2O5 and a molecular weight of 434.49 g/mol. Its IUPAC name is 5-[3-[4-[1-hydroxy-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]propyl]-1,3-oxazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[3-[4-[1-hydroxy-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]propyl]-1,3-oxazolidine-2,4-dione
• PubChem CID: 11761871
• Molecular Formula: C25H26N2O5
• Molecular Weight: 434.49 g/mol
• Exact Mass: 434.18
• IUPAC Name: 5-[3-[4-[1-hydroxy-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]propyl]-1,3-oxazolidine-2,4-dione
• SMILES: Cc1oc(-c2ccccc2)nc1CCC(O)c1ccc(CCCC2OC(=O)NC2=O)cc1
• InChI: InChI=1S/C25H26N2O5/c1-16-20(26-24(31-16)19-7-3-2-4-8-19)14-15-21(28)18-12-10-17(11-13-18)6-5-9-22-23(29)27-25(30)32-22/h2-4,7-8,10-13,21-22,28H,5-6,9,14-15H2,1H3,(H,27,29,30)
• InChIKey: NFYWHVRQJLTAFE-UHFFFAOYSA-N
• XLogP: 4.27
• TPSA: 101.66 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 9
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	434.49
LogP ≤ 5	4.27
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[3-[4-[1-hydroxy-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]propyl]-1,3-oxazolidine-2,4-dione?

The IUPAC name of 5-[3-[4-[1-hydroxy-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]propyl]-1,3-oxazolidine-2,4-dione (CID 11761871) is 5-[3-[4-[1-hydroxy-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]propyl]-1,3-oxazolidine-2,4-dione.

What is the SMILES notation for 5-[3-[4-[1-hydroxy-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]propyl]-1,3-oxazolidine-2,4-dione?

The canonical SMILES for 5-[3-[4-[1-hydroxy-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]propyl]-1,3-oxazolidine-2,4-dione is Cc1oc(-c2ccccc2)nc1CCC(O)c1ccc(CCCC2OC(=O)NC2=O)cc1.

What is the InChIKey of 5-[3-[4-[1-hydroxy-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]propyl]-1,3-oxazolidine-2,4-dione?

The InChIKey is NFYWHVRQJLTAFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N2O5/c1-16-20(26-24(31-16)19-7-3-2-4-8-19)14-15-21(28)18-12-10-17(11-13-18)6-5-9-22-23(29)27-25(30)32-22/h2-4,7-8,10-13,21-22,28H,5-6,9,14-15H2,1H3,(H,27,29,30).

What are the key properties of 5-[3-[4-[1-hydroxy-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]propyl]-1,3-oxazolidine-2,4-dione?

5-[3-[4-[1-hydroxy-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]propyl]-1,3-oxazolidine-2,4-dione has a molecular weight of 434.49 g/mol, XLogP of 4.27, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[3-[4-[1-hydroxy-3-(5-methyl-2-phenyl-1,3-oxazol-4-yl)propyl]phenyl]propyl]-1,3-oxazolidine-2,4-dione is sourced from PubChem (CID 11761871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).