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

C20H19ClN4O4 — CID 124946116

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

6-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 124946116) has the molecular formula C20H19ClN4O4 and a molecular weight of 414.85 g/mol. Its IUPAC name is 6-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
• PubChem CID: 124946116
• Molecular Formula: C20H19ClN4O4
• Molecular Weight: 414.85 g/mol
• Exact Mass: 414.11
• IUPAC Name: 6-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
• SMILES: O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1
• InChI: InChI=1S/C20H19ClN4O4/c21-13-5-3-4-12(8-13)9-14-11-22-18(29-14)16-6-1-2-7-25(16)19(27)15-10-17(26)24-20(28)23-15/h3-5,8,10-11,16H,1-2,6-7,9H2,(H2,23,24,26,28)/t16-/m1/s1
• InChIKey: BVZCASZRHGPCRE-MRXNPFEDSA-N
• XLogP: 2.66
• TPSA: 112.06 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	414.85
LogP ≤ 5	2.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of 6-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 124946116) is 6-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

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

The canonical SMILES for 6-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is O=C(c1cc(=O)[nH]c(=O)[nH]1)N1CCCC[C@@H]1c1ncc(Cc2cccc(Cl)c2)o1.

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

The InChIKey is BVZCASZRHGPCRE-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H19ClN4O4/c21-13-5-3-4-12(8-13)9-14-11-22-18(29-14)16-6-1-2-7-25(16)19(27)15-10-17(26)24-20(28)23-15/h3-5,8,10-11,16H,1-2,6-7,9H2,(H2,23,24,26,28)/t16-/m1/s1.

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

6-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 414.85 g/mol, XLogP of 2.66, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(2R)-2-[5-[(3-chlorophenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 124946116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).