6-[(5R)-5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one

C26H27FN6O5 — CID 66954723

About 6-[(5R)-5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one

6-[(5R)-5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 66954723) has the molecular formula C26H27FN6O5 and a molecular weight of 522.54 g/mol. Its IUPAC name is 6-[(5R)-5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

• Compound Name: 6-[(5R)-5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
• PubChem CID: 66954723
• Molecular Formula: C26H27FN6O5
• Molecular Weight: 522.54 g/mol
• Exact Mass: 522.20
• IUPAC Name: 6-[(5R)-5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one
• SMILES: COc1ccc2ncc(F)c(N3CCC(NC[C@@H]4CN(c5ccc6c(c5)NC(=O)CO6)C(=O)O4)CC3)c2n1
• InChI: InChI=1S/C26H27FN6O5/c1-36-23-5-3-19-24(31-23)25(18(27)12-29-19)32-8-6-15(7-9-32)28-11-17-13-33(26(35)38-17)16-2-4-21-20(10-16)30-22(34)14-37-21/h2-5,10,12,15,17,28H,6-9,11,13-14H2,1H3,(H,30,34)/t17-/m1/s1
• InChIKey: XVDZHTIUFBWVFB-QGZVFWFLSA-N
• XLogP: 2.69
• TPSA: 118.15 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	522.54
LogP ≤ 5	2.69
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 6-[(5R)-5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

The IUPAC name of 6-[(5R)-5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one (CID 66954723) is 6-[(5R)-5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one.

What is the SMILES notation for 6-[(5R)-5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

The canonical SMILES for 6-[(5R)-5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one is COc1ccc2ncc(F)c(N3CCC(NC[C@@H]4CN(c5ccc6c(c5)NC(=O)CO6)C(=O)O4)CC3)c2n1.

What is the InChIKey of 6-[(5R)-5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

The InChIKey is XVDZHTIUFBWVFB-QGZVFWFLSA-N. The full InChI is InChI=1S/C26H27FN6O5/c1-36-23-5-3-19-24(31-23)25(18(27)12-29-19)32-8-6-15(7-9-32)28-11-17-13-33(26(35)38-17)16-2-4-21-20(10-16)30-22(34)14-37-21/h2-5,10,12,15,17,28H,6-9,11,13-14H2,1H3,(H,30,34)/t17-/m1/s1.

What are the key properties of 6-[(5R)-5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one?

6-[(5R)-5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 522.54 g/mol, XLogP of 2.69, 6 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(5R)-5-[[[1-(3-fluoro-6-methoxy-1,5-naphthyridin-4-yl)piperidin-4-yl]amino]methyl]-2-oxo-1,3-oxazolidin-3-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 66954723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).