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

C22H23ClN4O4 — CID 124985604

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

6-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 124985604) has the molecular formula C22H23ClN4O4 and a molecular weight of 442.90 g/mol. Its IUPAC name is 6-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
• PubChem CID: 124985604
• Molecular Formula: C22H23ClN4O4
• Molecular Weight: 442.90 g/mol
• Exact Mass: 442.14
• IUPAC Name: 6-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione
• SMILES: Cn1c(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc(=O)n(C)c1=O
• InChI: InChI=1S/C22H23ClN4O4/c1-25-18(12-19(28)26(2)22(25)30)21(29)27-10-4-3-5-17(27)20-24-13-16(31-20)11-14-6-8-15(23)9-7-14/h6-9,12-13,17H,3-5,10-11H2,1-2H3/t17-/m1/s1
• InChIKey: NSWNOPHKWANWLZ-QGZVFWFLSA-N
• XLogP: 2.68
• TPSA: 90.34 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.90
LogP ≤ 5	2.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione (CID 124985604) is 6-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione.

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

The canonical SMILES for 6-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione is Cn1c(C(=O)N2CCCC[C@@H]2c2ncc(Cc3ccc(Cl)cc3)o2)cc(=O)n(C)c1=O.

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

The InChIKey is NSWNOPHKWANWLZ-QGZVFWFLSA-N. The full InChI is InChI=1S/C22H23ClN4O4/c1-25-18(12-19(28)26(2)22(25)30)21(29)27-10-4-3-5-17(27)20-24-13-16(31-20)11-14-6-8-15(23)9-7-14/h6-9,12-13,17H,3-5,10-11H2,1-2H3/t17-/m1/s1.

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

6-[(2R)-2-[5-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 442.90 g/mol, XLogP of 2.68, 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-[(4-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 124985604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).