6-[(5R)-5-[3-[[(3S)-5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one

C26H26FN5O6 — CID 67351050

About 6-[(5R)-5-[3-[[(3S)-5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one

6-[(5R)-5-[3-[[(3S)-5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 67351050) has the molecular formula C26H26FN5O6 and a molecular weight of 523.52 g/mol. Its IUPAC name is 6-[(5R)-5-[3-[[(3S)-5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

• Compound Name: 6-[(5R)-5-[3-[[(3S)-5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
• PubChem CID: 67351050
• Molecular Formula: C26H26FN5O6
• Molecular Weight: 523.52 g/mol
• Exact Mass: 523.19
• IUPAC Name: 6-[(5R)-5-[3-[[(3S)-5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
• SMILES: O=C1COc2ccc(N3C[C@@H](CCCN(CCO)[C@@H]4Cn5c(=O)cnc6ccc(F)c4c65)OC3=O)cc2N1
• InChI: InChI=1S/C26H26FN5O6/c27-17-4-5-18-25-24(17)20(13-32(25)23(35)11-28-18)30(8-9-33)7-1-2-16-12-31(26(36)38-16)15-3-6-21-19(10-15)29-22(34)14-37-21/h3-6,10-11,16,20,33H,1-2,7-9,12-14H2,(H,29,34)/t16-,20-/m1/s1
• InChIKey: HINLFBGDHNUSRA-OXQOHEQNSA-N
• XLogP: 2.02
• TPSA: 126.23 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 8
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.52
LogP ≤ 5	2.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[(5R)-5-[3-[[(3S)-5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

The IUPAC name of 6-[(5R)-5-[3-[[(3S)-5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one (CID 67351050) is 6-[(5R)-5-[3-[[(3S)-5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one.

What is the SMILES notation for 6-[(5R)-5-[3-[[(3S)-5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

The canonical SMILES for 6-[(5R)-5-[3-[[(3S)-5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one is O=C1COc2ccc(N3C[C@@H](CCCN(CCO)[C@@H]4Cn5c(=O)cnc6ccc(F)c4c65)OC3=O)cc2N1.

What is the InChIKey of 6-[(5R)-5-[3-[[(3S)-5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

The InChIKey is HINLFBGDHNUSRA-OXQOHEQNSA-N. The full InChI is InChI=1S/C26H26FN5O6/c27-17-4-5-18-25-24(17)20(13-32(25)23(35)11-28-18)30(8-9-33)7-1-2-16-12-31(26(36)38-16)15-3-6-21-19(10-15)29-22(34)14-37-21/h3-6,10-11,16,20,33H,1-2,7-9,12-14H2,(H,29,34)/t16-,20-/m1/s1.

What are the key properties of 6-[(5R)-5-[3-[[(3S)-5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

6-[(5R)-5-[3-[[(3S)-5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 523.52 g/mol, XLogP of 2.02, 8 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5R)-5-[3-[[(3S)-5-fluoro-11-oxo-1,9-diazatricyclo[6.3.1.04,12]dodeca-4,6,8(12),9-tetraen-3-yl]-(2-hydroxyethyl)amino]propyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 67351050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).