[8-[(4Z,6Z)-3,8-dihydro-2H-1,3-oxazocin-7-yl]-4-fluoro-6-[(9-fluoro-2,3,4,6-tetrahydro-1H-5,1,3-benzoxadiazocin-8-yl)methyl]furo[2,3-e]indol-7-yl]methoxymethanol

C28H28F2N4O5 — CID 89263308

About [8-[(4Z,6Z)-3,8-dihydro-2H-1,3-oxazocin-7-yl]-4-fluoro-6-[(9-fluoro-2,3,4,6-tetrahydro-1H-5,1,3-benzoxadiazocin-8-yl)methyl]furo[2,3-e]indol-7-yl]methoxymethanol

[8-[(4Z,6Z)-3,8-dihydro-2H-1,3-oxazocin-7-yl]-4-fluoro-6-[(9-fluoro-2,3,4,6-tetrahydro-1H-5,1,3-benzoxadiazocin-8-yl)methyl]furo[2,3-e]indol-7-yl]methoxymethanol (PubChem CID 89263308) has the molecular formula C28H28F2N4O5 and a molecular weight of 538.55 g/mol. Its IUPAC name is [8-[(4Z,6Z)-3,8-dihydro-2H-1,3-oxazocin-7-yl]-4-fluoro-6-[(9-fluoro-2,3,4,6-tetrahydro-1H-5,1,3-benzoxadiazocin-8-yl)methyl]furo[2,3-e]indol-7-yl]methoxymethanol.

Molecular Properties

• Compound Name: [8-[(4Z,6Z)-3,8-dihydro-2H-1,3-oxazocin-7-yl]-4-fluoro-6-[(9-fluoro-2,3,4,6-tetrahydro-1H-5,1,3-benzoxadiazocin-8-yl)methyl]furo[2,3-e]indol-7-yl]methoxymethanol
• PubChem CID: 89263308
• Molecular Formula: C28H28F2N4O5
• Molecular Weight: 538.55 g/mol
• Exact Mass: 538.20
• IUPAC Name: [8-[(4Z,6Z)-3,8-dihydro-2H-1,3-oxazocin-7-yl]-4-fluoro-6-[(9-fluoro-2,3,4,6-tetrahydro-1H-5,1,3-benzoxadiazocin-8-yl)methyl]furo[2,3-e]indol-7-yl]methoxymethanol
• SMILES: OCOCc1c(/C2=C/C=C\NCOC2)c2c3occc3c(F)cc2n1Cc1cc2c(cc1F)NCNCOC2
• InChI: InChI=1S/C28H28F2N4O5/c29-21-7-23-19(11-37-15-32-13-33-23)6-18(21)9-34-24-8-22(30)20-3-5-39-28(20)27(24)26(25(34)12-38-16-35)17-2-1-4-31-14-36-10-17/h1-8,31-33,35H,9-16H2/b4-1-,17-2+
• InChIKey: GHVRTMBJXLTUEI-GARGEIKTSA-N
• XLogP: 4.10
• TPSA: 102.08 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	538.55
LogP ≤ 5	4.10
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of [8-[(4Z,6Z)-3,8-dihydro-2H-1,3-oxazocin-7-yl]-4-fluoro-6-[(9-fluoro-2,3,4,6-tetrahydro-1H-5,1,3-benzoxadiazocin-8-yl)methyl]furo[2,3-e]indol-7-yl]methoxymethanol?

The IUPAC name of [8-[(4Z,6Z)-3,8-dihydro-2H-1,3-oxazocin-7-yl]-4-fluoro-6-[(9-fluoro-2,3,4,6-tetrahydro-1H-5,1,3-benzoxadiazocin-8-yl)methyl]furo[2,3-e]indol-7-yl]methoxymethanol (CID 89263308) is [8-[(4Z,6Z)-3,8-dihydro-2H-1,3-oxazocin-7-yl]-4-fluoro-6-[(9-fluoro-2,3,4,6-tetrahydro-1H-5,1,3-benzoxadiazocin-8-yl)methyl]furo[2,3-e]indol-7-yl]methoxymethanol.

What is the SMILES notation for [8-[(4Z,6Z)-3,8-dihydro-2H-1,3-oxazocin-7-yl]-4-fluoro-6-[(9-fluoro-2,3,4,6-tetrahydro-1H-5,1,3-benzoxadiazocin-8-yl)methyl]furo[2,3-e]indol-7-yl]methoxymethanol?

The canonical SMILES for [8-[(4Z,6Z)-3,8-dihydro-2H-1,3-oxazocin-7-yl]-4-fluoro-6-[(9-fluoro-2,3,4,6-tetrahydro-1H-5,1,3-benzoxadiazocin-8-yl)methyl]furo[2,3-e]indol-7-yl]methoxymethanol is OCOCc1c(/C2=C/C=C\NCOC2)c2c3occc3c(F)cc2n1Cc1cc2c(cc1F)NCNCOC2.

What is the InChIKey of [8-[(4Z,6Z)-3,8-dihydro-2H-1,3-oxazocin-7-yl]-4-fluoro-6-[(9-fluoro-2,3,4,6-tetrahydro-1H-5,1,3-benzoxadiazocin-8-yl)methyl]furo[2,3-e]indol-7-yl]methoxymethanol?

The InChIKey is GHVRTMBJXLTUEI-GARGEIKTSA-N. The full InChI is InChI=1S/C28H28F2N4O5/c29-21-7-23-19(11-37-15-32-13-33-23)6-18(21)9-34-24-8-22(30)20-3-5-39-28(20)27(24)26(25(34)12-38-16-35)17-2-1-4-31-14-36-10-17/h1-8,31-33,35H,9-16H2/b4-1-,17-2+.

What are the key properties of [8-[(4Z,6Z)-3,8-dihydro-2H-1,3-oxazocin-7-yl]-4-fluoro-6-[(9-fluoro-2,3,4,6-tetrahydro-1H-5,1,3-benzoxadiazocin-8-yl)methyl]furo[2,3-e]indol-7-yl]methoxymethanol?

[8-[(4Z,6Z)-3,8-dihydro-2H-1,3-oxazocin-7-yl]-4-fluoro-6-[(9-fluoro-2,3,4,6-tetrahydro-1H-5,1,3-benzoxadiazocin-8-yl)methyl]furo[2,3-e]indol-7-yl]methoxymethanol has a molecular weight of 538.55 g/mol, XLogP of 4.10, 6 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for [8-[(4Z,6Z)-3,8-dihydro-2H-1,3-oxazocin-7-yl]-4-fluoro-6-[(9-fluoro-2,3,4,6-tetrahydro-1H-5,1,3-benzoxadiazocin-8-yl)methyl]furo[2,3-e]indol-7-yl]methoxymethanol is sourced from PubChem (CID 89263308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).