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

C21H22N4O5 — CID 110133733

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

6-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (PubChem CID 110133733) has the molecular formula C21H22N4O5 and a molecular weight of 410.43 g/mol. Its IUPAC name is 6-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 6-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
• PubChem CID: 110133733
• Molecular Formula: C21H22N4O5
• Molecular Weight: 410.43 g/mol
• Exact Mass: 410.16
• IUPAC Name: 6-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione
• SMILES: COc1ccccc1Cc1cnc(C2CCCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)o1
• InChI: InChI=1S/C21H22N4O5/c1-29-17-7-3-2-5-13(17)9-15-11-22-19(30-15)14-6-4-8-25(12-14)20(27)16-10-18(26)24-21(28)23-16/h2-3,5,7,10-11,14H,4,6,8-9,12H2,1H3,(H2,23,24,26,28)
• InChIKey: SPUYEPHXOZIXKW-UHFFFAOYSA-N
• XLogP: 1.67
• TPSA: 121.29 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.43
LogP ≤ 5	1.67
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of 6-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione (CID 110133733) is 6-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione.

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

The canonical SMILES for 6-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is COc1ccccc1Cc1cnc(C2CCCN(C(=O)c3cc(=O)[nH]c(=O)[nH]3)C2)o1.

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

The InChIKey is SPUYEPHXOZIXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4O5/c1-29-17-7-3-2-5-13(17)9-15-11-22-19(30-15)14-6-4-8-25(12-14)20(27)16-10-18(26)24-21(28)23-16/h2-3,5,7,10-11,14H,4,6,8-9,12H2,1H3,(H2,23,24,26,28).

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

6-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione has a molecular weight of 410.43 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[3-[5-[(2-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidine-1-carbonyl]-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 110133733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).