ethyl 2-[4-[[3-[4-[N'-(furan-3-carbonyl)carbamimidoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-oxopiperazin-1-yl]acetate

C24H27N5O7 — CID 22435186

About ethyl 2-[4-[[3-[4-[N'-(furan-3-carbonyl)carbamimidoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-oxopiperazin-1-yl]acetate

ethyl 2-[4-[[3-[4-[N'-(furan-3-carbonyl)carbamimidoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-oxopiperazin-1-yl]acetate (PubChem CID 22435186) has the molecular formula C24H27N5O7 and a molecular weight of 497.51 g/mol. Its IUPAC name is ethyl 2-[4-[[3-[4-[N'-(furan-3-carbonyl)carbamimidoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-oxopiperazin-1-yl]acetate.

Molecular Properties

• Compound Name: ethyl 2-[4-[[3-[4-[N'-(furan-3-carbonyl)carbamimidoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-oxopiperazin-1-yl]acetate
• PubChem CID: 22435186
• Molecular Formula: C24H27N5O7
• Molecular Weight: 497.51 g/mol
• Exact Mass: 497.19
• IUPAC Name: ethyl 2-[4-[[3-[4-[N'-(furan-3-carbonyl)carbamimidoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-oxopiperazin-1-yl]acetate
• SMILES: CCOC(=O)CN1CCN(CC2CN(c3ccc(/C(N)=N/C(=O)c4ccoc4)cc3)C(=O)O2)CC1=O
• InChI: InChI=1S/C24H27N5O7/c1-2-35-21(31)14-28-9-8-27(13-20(28)30)11-19-12-29(24(33)36-19)18-5-3-16(4-6-18)22(25)26-23(32)17-7-10-34-15-17/h3-7,10,15,19H,2,8-9,11-14H2,1H3,(H2,25,26,32)
• InChIKey: CXRRNNGWQSRQRQ-UHFFFAOYSA-N
• XLogP: 0.86
• TPSA: 147.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	497.51
LogP ≤ 5	0.86
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of ethyl 2-[4-[[3-[4-[N'-(furan-3-carbonyl)carbamimidoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-oxopiperazin-1-yl]acetate?

The IUPAC name of ethyl 2-[4-[[3-[4-[N'-(furan-3-carbonyl)carbamimidoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-oxopiperazin-1-yl]acetate (CID 22435186) is ethyl 2-[4-[[3-[4-[N'-(furan-3-carbonyl)carbamimidoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-oxopiperazin-1-yl]acetate.

What is the SMILES notation for ethyl 2-[4-[[3-[4-[N'-(furan-3-carbonyl)carbamimidoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-oxopiperazin-1-yl]acetate?

The canonical SMILES for ethyl 2-[4-[[3-[4-[N'-(furan-3-carbonyl)carbamimidoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-oxopiperazin-1-yl]acetate is CCOC(=O)CN1CCN(CC2CN(c3ccc(/C(N)=N/C(=O)c4ccoc4)cc3)C(=O)O2)CC1=O.

What is the InChIKey of ethyl 2-[4-[[3-[4-[N'-(furan-3-carbonyl)carbamimidoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-oxopiperazin-1-yl]acetate?

The InChIKey is CXRRNNGWQSRQRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O7/c1-2-35-21(31)14-28-9-8-27(13-20(28)30)11-19-12-29(24(33)36-19)18-5-3-16(4-6-18)22(25)26-23(32)17-7-10-34-15-17/h3-7,10,15,19H,2,8-9,11-14H2,1H3,(H2,25,26,32).

What are the key properties of ethyl 2-[4-[[3-[4-[N'-(furan-3-carbonyl)carbamimidoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-oxopiperazin-1-yl]acetate?

ethyl 2-[4-[[3-[4-[N'-(furan-3-carbonyl)carbamimidoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-oxopiperazin-1-yl]acetate has a molecular weight of 497.51 g/mol, XLogP of 0.86, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for ethyl 2-[4-[[3-[4-[N'-(furan-3-carbonyl)carbamimidoyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]-2-oxopiperazin-1-yl]acetate is sourced from PubChem (CID 22435186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).