1-[2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

C20H22N6O4 — CID 24614306

About 1-[2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione

1-[2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (PubChem CID 24614306) has the molecular formula C20H22N6O4 and a molecular weight of 410.43 g/mol. Its IUPAC name is 1-[2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

Molecular Properties

• Compound Name: 1-[2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
• PubChem CID: 24614306
• Molecular Formula: C20H22N6O4
• Molecular Weight: 410.43 g/mol
• Exact Mass: 410.17
• IUPAC Name: 1-[2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione
• SMILES: Cc1ccc(-c2noc(CN3CCN(C(=O)Cn4ccc(=O)[nH]c4=O)CC3)n2)cc1
• InChI: InChI=1S/C20H22N6O4/c1-14-2-4-15(5-3-14)19-22-17(30-23-19)12-24-8-10-25(11-9-24)18(28)13-26-7-6-16(27)21-20(26)29/h2-7H,8-13H2,1H3,(H,21,27,29)
• InChIKey: ASDDCKPNVCZICL-UHFFFAOYSA-N
• XLogP: 0.24
• TPSA: 117.33 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	410.43
LogP ≤ 5	0.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

The IUPAC name of 1-[2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione (CID 24614306) is 1-[2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione.

What is the SMILES notation for 1-[2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

The canonical SMILES for 1-[2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is Cc1ccc(-c2noc(CN3CCN(C(=O)Cn4ccc(=O)[nH]c4=O)CC3)n2)cc1.

What is the InChIKey of 1-[2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

The InChIKey is ASDDCKPNVCZICL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O4/c1-14-2-4-15(5-3-14)19-22-17(30-23-19)12-24-8-10-25(11-9-24)18(28)13-26-7-6-16(27)21-20(26)29/h2-7H,8-13H2,1H3,(H,21,27,29).

What are the key properties of 1-[2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione?

1-[2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione has a molecular weight of 410.43 g/mol, XLogP of 0.24, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperazin-1-yl]-2-oxoethyl]pyrimidine-2,4-dione is sourced from PubChem (CID 24614306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).