1-[2-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

C24H28N4O7 — CID 55826784

About 1-[2-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione

1-[2-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (PubChem CID 55826784) has the molecular formula C24H28N4O7 and a molecular weight of 484.51 g/mol. Its IUPAC name is 1-[2-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

Molecular Properties

• Compound Name: 1-[2-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
• PubChem CID: 55826784
• Molecular Formula: C24H28N4O7
• Molecular Weight: 484.51 g/mol
• Exact Mass: 484.20
• IUPAC Name: 1-[2-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione
• SMILES: COc1cc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)ccc1OCc1c(C)noc1C
• InChI: InChI=1S/C24H28N4O7/c1-15-18(16(2)35-25-15)14-34-19-5-4-17(12-20(19)33-3)24(32)27-10-8-26(9-11-27)23(31)13-28-21(29)6-7-22(28)30/h4-5,12H,6-11,13-14H2,1-3H3
• InChIKey: KUZIRYCCFGMTEP-UHFFFAOYSA-N
• XLogP: 1.31
• TPSA: 122.49 Ų
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.51
LogP ≤ 5	1.31
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'phthalimide', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[2-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?

The IUPAC name of 1-[2-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione (CID 55826784) is 1-[2-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione.

What is the SMILES notation for 1-[2-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?

The canonical SMILES for 1-[2-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is COc1cc(C(=O)N2CCN(C(=O)CN3C(=O)CCC3=O)CC2)ccc1OCc1c(C)noc1C.

What is the InChIKey of 1-[2-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?

The InChIKey is KUZIRYCCFGMTEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4O7/c1-15-18(16(2)35-25-15)14-34-19-5-4-17(12-20(19)33-3)24(32)27-10-8-26(9-11-27)23(31)13-28-21(29)6-7-22(28)30/h4-5,12H,6-11,13-14H2,1-3H3.

What are the key properties of 1-[2-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione?

1-[2-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione has a molecular weight of 484.51 g/mol, XLogP of 1.31, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[2-[4-[4-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]-3-methoxybenzoyl]piperazin-1-yl]-2-oxoethyl]pyrrolidine-2,5-dione is sourced from PubChem (CID 55826784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).