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

C20H24FN3O7 — CID 90284034

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

(4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 90284034) has the molecular formula C20H24FN3O7 and a molecular weight of 437.42 g/mol. Its IUPAC name is (4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

• Compound Name: (4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
• PubChem CID: 90284034
• Molecular Formula: C20H24FN3O7
• Molecular Weight: 437.42 g/mol
• Exact Mass: 437.16
• IUPAC Name: (4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one
• SMILES: C[C@@H]1CN(c2c(C3OCCO3)cc3c(N4C(=O)OC[C@@H]4CO)noc3c2F)C[C@H](C)O1
• InChI: InChI=1S/C20H24FN3O7/c1-10-6-23(7-11(2)30-10)16-13(19-27-3-4-28-19)5-14-17(15(16)21)31-22-18(14)24-12(8-25)9-29-20(24)26/h5,10-12,19,25H,3-4,6-9H2,1-2H3/t10-,11+,12-/m0/s1
• InChIKey: ZKTBYRVXVXVEBR-TUAOUCFPSA-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 (4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one?

The IUPAC name of (4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 90284034) is (4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one.

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

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

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

The InChIKey is ZKTBYRVXVXVEBR-TUAOUCFPSA-N. The full InChI is InChI=1S/C20H24FN3O7/c1-10-6-23(7-11(2)30-10)16-13(19-27-3-4-28-19)5-14-17(15(16)21)31-22-18(14)24-12(8-25)9-29-20(24)26/h5,10-12,19,25H,3-4,6-9H2,1-2H3/t10-,11+,12-/m0/s1.

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

(4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(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 (4S)-3-[6-[(2S,6R)-2,6-dimethylmorpholin-4-yl]-5-(1,3-dioxolan-2-yl)-7-fluoro-1,2-benzoxazol-3-yl]-4-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 90284034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).