(E)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinoxalin-5-yl)prop-2-enamide

C26H24N4O6 — CID 66737499

About (E)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinoxalin-5-yl)prop-2-enamide

(E)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinoxalin-5-yl)prop-2-enamide (PubChem CID 66737499) has the molecular formula C26H24N4O6 and a molecular weight of 488.50 g/mol. Its IUPAC name is (E)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinoxalin-5-yl)prop-2-enamide.

Molecular Properties

• Compound Name: (E)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinoxalin-5-yl)prop-2-enamide
• PubChem CID: 66737499
• Molecular Formula: C26H24N4O6
• Molecular Weight: 488.50 g/mol
• Exact Mass: 488.17
• IUPAC Name: (E)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinoxalin-5-yl)prop-2-enamide
• SMILES: COc1cnc2cccc(/C=C/C(=O)NC[C@@H]3CN(C4=COC=C(C5=CC=CCC5)O4)C(=O)O3)c2n1
• InChI: InChI=1S/C26H24N4O6/c1-33-23-13-27-20-9-5-8-18(25(20)29-23)10-11-22(31)28-12-19-14-30(26(32)35-19)24-16-34-15-21(36-24)17-6-3-2-4-7-17/h2-3,5-6,8-11,13,15-16,19H,4,7,12,14H2,1H3,(H,28,31)/b11-10+/t19-/m1/s1
• InChIKey: HFJFWPSIMRKRMP-GNISGLHKSA-N
• XLogP: 3.55
• TPSA: 112.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	488.50
LogP ≤ 5	3.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of (E)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinoxalin-5-yl)prop-2-enamide?

The IUPAC name of (E)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinoxalin-5-yl)prop-2-enamide (CID 66737499) is (E)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinoxalin-5-yl)prop-2-enamide.

What is the SMILES notation for (E)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinoxalin-5-yl)prop-2-enamide?

The canonical SMILES for (E)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinoxalin-5-yl)prop-2-enamide is COc1cnc2cccc(/C=C/C(=O)NC[C@@H]3CN(C4=COC=C(C5=CC=CCC5)O4)C(=O)O3)c2n1.

What is the InChIKey of (E)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinoxalin-5-yl)prop-2-enamide?

The InChIKey is HFJFWPSIMRKRMP-GNISGLHKSA-N. The full InChI is InChI=1S/C26H24N4O6/c1-33-23-13-27-20-9-5-8-18(25(20)29-23)10-11-22(31)28-12-19-14-30(26(32)35-19)24-16-34-15-21(36-24)17-6-3-2-4-7-17/h2-3,5-6,8-11,13,15-16,19H,4,7,12,14H2,1H3,(H,28,31)/b11-10+/t19-/m1/s1.

What are the key properties of (E)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinoxalin-5-yl)prop-2-enamide?

(E)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinoxalin-5-yl)prop-2-enamide has a molecular weight of 488.50 g/mol, XLogP of 3.55, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for (E)-N-[[(5R)-3-(6-cyclohexa-1,3-dien-1-yl-1,4-dioxin-2-yl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-3-(3-methoxyquinoxalin-5-yl)prop-2-enamide is sourced from PubChem (CID 66737499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).