N-[(3,5-difluorophenyl)methyl]-2-[2-[4-[3-[4-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]butoxy]propoxy]butylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-1,2-oxazolidine-5-carboxamide

C40H49F2N7O10 — CID 156787634

About N-[(3,5-difluorophenyl)methyl]-2-[2-[4-[3-[4-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]butoxy]propoxy]butylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-1,2-oxazolidine-5-carboxamide

N-[(3,5-difluorophenyl)methyl]-2-[2-[4-[3-[4-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]butoxy]propoxy]butylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-1,2-oxazolidine-5-carboxamide (PubChem CID 156787634) has the molecular formula C40H49F2N7O10 and a molecular weight of 825.87 g/mol. Its IUPAC name is N-[(3,5-difluorophenyl)methyl]-2-[2-[4-[3-[4-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]butoxy]propoxy]butylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-1,2-oxazolidine-5-carboxamide.

Molecular Properties

• Compound Name: N-[(3,5-difluorophenyl)methyl]-2-[2-[4-[3-[4-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]butoxy]propoxy]butylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-1,2-oxazolidine-5-carboxamide
• PubChem CID: 156787634
• Molecular Formula: C40H49F2N7O10
• Molecular Weight: 825.87 g/mol
• Exact Mass: 825.35
• IUPAC Name: N-[(3,5-difluorophenyl)methyl]-2-[2-[4-[3-[4-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]butoxy]propoxy]butylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-1,2-oxazolidine-5-carboxamide
• SMILES: O=C(NCCCCOCCCOCCCCNc1ccc2c(c1)ON(C1CCONO1)O2)c1cc2cc(N3CCC(O)(C(=O)NCc4cc(F)cc(F)c4)O3)ccc2[nH]1
• InChI: InChI=1S/C40H49F2N7O10/c41-29-20-27(21-30(42)24-29)26-45-39(51)40(52)11-14-48(59-40)32-7-8-33-28(22-32)23-34(46-33)38(50)44-13-2-4-16-54-18-5-17-53-15-3-1-12-43-31-6-9-35-36(25-31)58-49(57-35)37-10-19-55-47-56-37/h6-9,20-25,37,43,46-47,52H,1-5,10-19,26H2,(H,44,50)(H,45,51)
• InChIKey: PCGRELKCMMVYBU-UHFFFAOYSA-N
• XLogP: 4.50
• TPSA: 189.37 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 14
• Rotatable Bonds: 21
• Heavy Atoms: 59
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	825.87
LogP ≤ 5	4.50
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	14

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-[2-[4-[3-[4-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]butoxy]propoxy]butylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-1,2-oxazolidine-5-carboxamide?

The IUPAC name of N-[(3,5-difluorophenyl)methyl]-2-[2-[4-[3-[4-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]butoxy]propoxy]butylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-1,2-oxazolidine-5-carboxamide (CID 156787634) is N-[(3,5-difluorophenyl)methyl]-2-[2-[4-[3-[4-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]butoxy]propoxy]butylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-1,2-oxazolidine-5-carboxamide.

What is the SMILES notation for N-[(3,5-difluorophenyl)methyl]-2-[2-[4-[3-[4-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]butoxy]propoxy]butylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-1,2-oxazolidine-5-carboxamide?

The canonical SMILES for N-[(3,5-difluorophenyl)methyl]-2-[2-[4-[3-[4-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]butoxy]propoxy]butylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-1,2-oxazolidine-5-carboxamide is O=C(NCCCCOCCCOCCCCNc1ccc2c(c1)ON(C1CCONO1)O2)c1cc2cc(N3CCC(O)(C(=O)NCc4cc(F)cc(F)c4)O3)ccc2[nH]1.

What is the InChIKey of N-[(3,5-difluorophenyl)methyl]-2-[2-[4-[3-[4-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]butoxy]propoxy]butylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-1,2-oxazolidine-5-carboxamide?

The InChIKey is PCGRELKCMMVYBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H49F2N7O10/c41-29-20-27(21-30(42)24-29)26-45-39(51)40(52)11-14-48(59-40)32-7-8-33-28(22-32)23-34(46-33)38(50)44-13-2-4-16-54-18-5-17-53-15-3-1-12-43-31-6-9-35-36(25-31)58-49(57-35)37-10-19-55-47-56-37/h6-9,20-25,37,43,46-47,52H,1-5,10-19,26H2,(H,44,50)(H,45,51).

What are the key properties of N-[(3,5-difluorophenyl)methyl]-2-[2-[4-[3-[4-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]butoxy]propoxy]butylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-1,2-oxazolidine-5-carboxamide?

N-[(3,5-difluorophenyl)methyl]-2-[2-[4-[3-[4-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]butoxy]propoxy]butylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-1,2-oxazolidine-5-carboxamide has a molecular weight of 825.87 g/mol, XLogP of 4.50, 21 rotatable bonds, 6 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3,5-difluorophenyl)methyl]-2-[2-[4-[3-[4-[[2-(1,3,2-dioxazinan-4-yl)-1,3,2-benzodioxazol-5-yl]amino]butoxy]propoxy]butylcarbamoyl]-1H-indol-5-yl]-5-hydroxy-1,2-oxazolidine-5-carboxamide is sourced from PubChem (CID 156787634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).