(5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

C20H24FN3O7 — CID 90283546

About (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one

(5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 90283546) has the molecular formula C20H24FN3O7 and a molecular weight of 437.42 g/mol. Its IUPAC name is (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
• PubChem CID: 90283546
• Molecular Formula: C20H24FN3O7
• Molecular Weight: 437.42 g/mol
• Exact Mass: 437.16
• IUPAC Name: (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
• SMILES: C[C@@H]1CN(c2c(C3OCCO3)cc3c(N4C[C@H](CO)OC4=O)noc3c2F)C[C@@H](C)O1
• InChI: InChI=1S/C20H24FN3O7/c1-10-6-23(7-11(2)29-10)16-13(19-27-3-4-28-19)5-14-17(15(16)21)31-22-18(14)24-8-12(9-25)30-20(24)26/h5,10-12,19,25H,3-4,6-9H2,1-2H3/t10-,11-,12-/m1/s1
• InChIKey: OSMUVDYYRMDGPY-IJLUTSLNSA-N
• XLogP: 1.94
• TPSA: 106.73 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 4
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.42
LogP ≤ 5	1.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The IUPAC name of (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 90283546) is (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

What is the SMILES notation for (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The canonical SMILES for (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is C[C@@H]1CN(c2c(C3OCCO3)cc3c(N4C[C@H](CO)OC4=O)noc3c2F)C[C@@H](C)O1.

What is the InChIKey of (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

The InChIKey is OSMUVDYYRMDGPY-IJLUTSLNSA-N. The full InChI is InChI=1S/C20H24FN3O7/c1-10-6-23(7-11(2)29-10)16-13(19-27-3-4-28-19)5-14-17(15(16)21)31-22-18(14)24-8-12(9-25)30-20(24)26/h5,10-12,19,25H,3-4,6-9H2,1-2H3/t10-,11-,12-/m1/s1.

What are the key properties of (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?

(5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 437.42 g/mol, XLogP of 1.94, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for (5R)-3-[6-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90283546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).