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

C25H32FN3O8 — CID 90284427

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-(oxan-2-yloxymethyl)-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-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one (PubChem CID 90284427) has the molecular formula C25H32FN3O8 and a molecular weight of 521.54 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-(oxan-2-yloxymethyl)-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-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one
• PubChem CID: 90284427
• Molecular Formula: C25H32FN3O8
• Molecular Weight: 521.54 g/mol
• Exact Mass: 521.22
• 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-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one
• SMILES: C[C@@H]1CN(c2c(C3OCCO3)cc3c(N4C[C@H](COC5CCCCO5)OC4=O)noc3c2F)C[C@@H](C)O1
• InChI: InChI=1S/C25H32FN3O8/c1-14-10-28(11-15(2)35-14)21-17(24-32-7-8-33-24)9-18-22(20(21)26)37-27-23(18)29-12-16(36-25(29)30)13-34-19-5-3-4-6-31-19/h9,14-16,19,24H,3-8,10-13H2,1-2H3/t14-,15-,16-,19?/m1/s1
• InChIKey: PUQCSPYQUANWGH-OJEBHDCCSA-N
• XLogP: 3.49
• TPSA: 104.96 Ų
• H-Bond Acceptors: 10
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	521.54
LogP ≤ 5	3.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	10

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-(oxan-2-yloxymethyl)-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-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one (CID 90284427) 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-(oxan-2-yloxymethyl)-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-(oxan-2-yloxymethyl)-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-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one is C[C@@H]1CN(c2c(C3OCCO3)cc3c(N4C[C@H](COC5CCCCO5)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-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one?

The InChIKey is PUQCSPYQUANWGH-OJEBHDCCSA-N. The full InChI is InChI=1S/C25H32FN3O8/c1-14-10-28(11-15(2)35-14)21-17(24-32-7-8-33-24)9-18-22(20(21)26)37-27-23(18)29-12-16(36-25(29)30)13-34-19-5-3-4-6-31-19/h9,14-16,19,24H,3-8,10-13H2,1-2H3/t14-,15-,16-,19?/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-(oxan-2-yloxymethyl)-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-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 521.54 g/mol, XLogP of 3.49, 6 rotatable bonds, 0 hydrogen bond donors, and 10 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-(oxan-2-yloxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90284427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).