1-[2-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

C22H24N4O5 — CID 124958344

About 1-[2-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

1-[2-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 124958344) has the molecular formula C22H24N4O5 and a molecular weight of 424.46 g/mol. Its IUPAC name is 1-[2-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[2-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
• PubChem CID: 124958344
• Molecular Formula: C22H24N4O5
• Molecular Weight: 424.46 g/mol
• Exact Mass: 424.17
• IUPAC Name: 1-[2-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
• SMILES: COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)Cn4ccc(=O)[nH]c4=O)C3)o2)cc1
• InChI: InChI=1S/C22H24N4O5/c1-30-17-6-4-15(5-7-17)11-18-12-23-21(31-18)16-3-2-9-25(13-16)20(28)14-26-10-8-19(27)24-22(26)29/h4-8,10,12,16H,2-3,9,11,13-14H2,1H3,(H,24,27,29)/t16-/m1/s1
• InChIKey: GFPSAEUSORHQCR-MRXNPFEDSA-N
• XLogP: 1.53
• TPSA: 110.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	424.46
LogP ≤ 5	1.53
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 1-[2-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

The IUPAC name of 1-[2-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 124958344) is 1-[2-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[2-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[2-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is COc1ccc(Cc2cnc([C@@H]3CCCN(C(=O)Cn4ccc(=O)[nH]c4=O)C3)o2)cc1.

What is the InChIKey of 1-[2-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

The InChIKey is GFPSAEUSORHQCR-MRXNPFEDSA-N. The full InChI is InChI=1S/C22H24N4O5/c1-30-17-6-4-15(5-7-17)11-18-12-23-21(31-18)16-3-2-9-25(13-16)20(28)14-26-10-8-19(27)24-22(26)29/h4-8,10,12,16H,2-3,9,11,13-14H2,1H3,(H,24,27,29)/t16-/m1/s1.

What are the key properties of 1-[2-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

1-[2-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 424.46 g/mol, XLogP of 1.53, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[(3R)-3-[5-[(4-methoxyphenyl)methyl]-1,3-oxazol-2-yl]piperidin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 124958344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).