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

C22H24N4O4 — CID 124969150

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

6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 124969150) has the molecular formula C22H24N4O4 and a molecular weight of 408.46 g/mol. Its IUPAC name is 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
• PubChem CID: 124969150
• Molecular Formula: C22H24N4O4
• Molecular Weight: 408.46 g/mol
• Exact Mass: 408.18
• IUPAC Name: 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
• SMILES: Cn1c(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)cc(=O)n(C)c1=O
• InChI: InChI=1S/C22H24N4O4/c1-24-18(13-19(27)25(2)22(24)29)21(28)26-11-7-6-10-17(26)20-23-14-16(30-20)12-15-8-4-3-5-9-15/h3-5,8-9,13-14,17H,6-7,10-12H2,1-2H3/t17-/m1/s1
• InChIKey: JGMXFCIRMDUBSC-QGZVFWFLSA-N
• XLogP: 2.03
• 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	2.03
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione (CID 124969150) is 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione.

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

The canonical SMILES for 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccccc3)o2)cc(=O)n(C)c1=O.

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

The InChIKey is JGMXFCIRMDUBSC-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H24N4O4/c1-24-18(13-19(27)25(2)22(24)29)21(28)26-11-7-6-10-17(26)20-23-14-16(30-20)12-15-8-4-3-5-9-15/h3-5,8-9,13-14,17H,6-7,10-12H2,1-2H3/t17-/m1/s1.

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

6-[(2R)-2-(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 2.03, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-2-(5-benzyl-1,3-oxazol-2-yl)piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 124969150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).