5-(furan-2-yl)-N-[2-[3-methoxy-4-[[5-[3-(prop-2-enylcarbamoyl)-1,2-oxazol-5-yl]furan-3-yl]methoxy]phenyl]ethyl]-1,2-oxazole-3-carboxamide

C29H26N4O8 — CID 123354392

About 5-(furan-2-yl)-N-[2-[3-methoxy-4-[[5-[3-(prop-2-enylcarbamoyl)-1,2-oxazol-5-yl]furan-3-yl]methoxy]phenyl]ethyl]-1,2-oxazole-3-carboxamide

5-(furan-2-yl)-N-[2-[3-methoxy-4-[[5-[3-(prop-2-enylcarbamoyl)-1,2-oxazol-5-yl]furan-3-yl]methoxy]phenyl]ethyl]-1,2-oxazole-3-carboxamide (PubChem CID 123354392) has the molecular formula C29H26N4O8 and a molecular weight of 558.55 g/mol. Its IUPAC name is 5-(furan-2-yl)-N-[2-[3-methoxy-4-[[5-[3-(prop-2-enylcarbamoyl)-1,2-oxazol-5-yl]furan-3-yl]methoxy]phenyl]ethyl]-1,2-oxazole-3-carboxamide.

Molecular Properties

• Compound Name: 5-(furan-2-yl)-N-[2-[3-methoxy-4-[[5-[3-(prop-2-enylcarbamoyl)-1,2-oxazol-5-yl]furan-3-yl]methoxy]phenyl]ethyl]-1,2-oxazole-3-carboxamide
• PubChem CID: 123354392
• Molecular Formula: C29H26N4O8
• Molecular Weight: 558.55 g/mol
• Exact Mass: 558.18
• IUPAC Name: 5-(furan-2-yl)-N-[2-[3-methoxy-4-[[5-[3-(prop-2-enylcarbamoyl)-1,2-oxazol-5-yl]furan-3-yl]methoxy]phenyl]ethyl]-1,2-oxazole-3-carboxamide
• SMILES: C=CCNC(=O)c1cc(-c2cc(COc3ccc(CCNC(=O)c4cc(-c5ccco5)on4)cc3OC)co2)on1
• InChI: InChI=1S/C29H26N4O8/c1-3-9-30-28(34)21-15-27(41-33-21)25-13-19(17-39-25)16-38-23-7-6-18(12-24(23)36-2)8-10-31-29(35)20-14-26(40-32-20)22-5-4-11-37-22/h3-7,11-15,17H,1,8-10,16H2,2H3,(H,30,34)(H,31,35)
• InChIKey: JMLLCKWRQISQAH-UHFFFAOYSA-N
• XLogP: 4.66
• TPSA: 155.00 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 13
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	558.55
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(furan-2-yl)-N-[2-[3-methoxy-4-[[5-[3-(prop-2-enylcarbamoyl)-1,2-oxazol-5-yl]furan-3-yl]methoxy]phenyl]ethyl]-1,2-oxazole-3-carboxamide?

The IUPAC name of 5-(furan-2-yl)-N-[2-[3-methoxy-4-[[5-[3-(prop-2-enylcarbamoyl)-1,2-oxazol-5-yl]furan-3-yl]methoxy]phenyl]ethyl]-1,2-oxazole-3-carboxamide (CID 123354392) is 5-(furan-2-yl)-N-[2-[3-methoxy-4-[[5-[3-(prop-2-enylcarbamoyl)-1,2-oxazol-5-yl]furan-3-yl]methoxy]phenyl]ethyl]-1,2-oxazole-3-carboxamide.

What is the SMILES notation for 5-(furan-2-yl)-N-[2-[3-methoxy-4-[[5-[3-(prop-2-enylcarbamoyl)-1,2-oxazol-5-yl]furan-3-yl]methoxy]phenyl]ethyl]-1,2-oxazole-3-carboxamide?

The canonical SMILES for 5-(furan-2-yl)-N-[2-[3-methoxy-4-[[5-[3-(prop-2-enylcarbamoyl)-1,2-oxazol-5-yl]furan-3-yl]methoxy]phenyl]ethyl]-1,2-oxazole-3-carboxamide is C=CCNC(=O)c1cc(-c2cc(COc3ccc(CCNC(=O)c4cc(-c5ccco5)on4)cc3OC)co2)on1.

What is the InChIKey of 5-(furan-2-yl)-N-[2-[3-methoxy-4-[[5-[3-(prop-2-enylcarbamoyl)-1,2-oxazol-5-yl]furan-3-yl]methoxy]phenyl]ethyl]-1,2-oxazole-3-carboxamide?

The InChIKey is JMLLCKWRQISQAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N4O8/c1-3-9-30-28(34)21-15-27(41-33-21)25-13-19(17-39-25)16-38-23-7-6-18(12-24(23)36-2)8-10-31-29(35)20-14-26(40-32-20)22-5-4-11-37-22/h3-7,11-15,17H,1,8-10,16H2,2H3,(H,30,34)(H,31,35).

What are the key properties of 5-(furan-2-yl)-N-[2-[3-methoxy-4-[[5-[3-(prop-2-enylcarbamoyl)-1,2-oxazol-5-yl]furan-3-yl]methoxy]phenyl]ethyl]-1,2-oxazole-3-carboxamide?

5-(furan-2-yl)-N-[2-[3-methoxy-4-[[5-[3-(prop-2-enylcarbamoyl)-1,2-oxazol-5-yl]furan-3-yl]methoxy]phenyl]ethyl]-1,2-oxazole-3-carboxamide has a molecular weight of 558.55 g/mol, XLogP of 4.66, 13 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(furan-2-yl)-N-[2-[3-methoxy-4-[[5-[3-(prop-2-enylcarbamoyl)-1,2-oxazol-5-yl]furan-3-yl]methoxy]phenyl]ethyl]-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 123354392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).