6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione

C22H24N4O4 — CID 110133724

About 6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione

6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 110133724) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
• PubChem CID: 110133724
• Molecular Formula: C22H24N4O4
• Molecular Weight: 408.46 g/mol
• Exact Mass: 408.18
• IUPAC Name: 6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
• SMILES: Cn1c(C(=O)N2CCCC(c3ncc(Cc4ccccc4)o3)C2)cc(=O)n(C)c1=O
• InChI: InChI=1S/C22H24N4O4/c1-24-18(12-19(27)25(2)22(24)29)21(28)26-10-6-9-16(14-26)20-23-13-17(30-20)11-15-7-4-3-5-8-15/h3-5,7-8,12-13,16H,6,9-11,14H2,1-2H3
• InChIKey: RSFYRRTUMYMGBZ-UHFFFAOYSA-N
• XLogP: 1.68
• TPSA: 90.34 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	408.46
LogP ≤ 5	1.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?

The IUPAC name of 6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione (CID 110133724) is 6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione.

What is the SMILES notation for 6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?

The canonical SMILES for 6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(C(=O)N2CCCC(c3ncc(Cc4ccccc4)o3)C2)cc(=O)n(C)c1=O.

What is the InChIKey of 6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?

The InChIKey is RSFYRRTUMYMGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-24-18(12-19(27)25(2)22(24)29)21(28)26-10-6-9-16(14-26)20-23-13-17(30-20)11-15-7-4-3-5-8-15/h3-5,7-8,12-13,16H,6,9-11,14H2,1-2H3.

What are the key properties of 6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione?

6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 408.46 g/mol, XLogP of 1.68, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 110133724), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).