tert-butyl 2-[(6-methoxy-1,5-naphthyridin-4-yl)methyl-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]acetate

C30H35N5O6S — CID 25115786

About tert-butyl 2-[(6-methoxy-1,5-naphthyridin-4-yl)methyl-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]acetate

tert-butyl 2-[(6-methoxy-1,5-naphthyridin-4-yl)methyl-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]acetate (PubChem CID 25115786) has the molecular formula C30H35N5O6S and a molecular weight of 593.71 g/mol. Its IUPAC name is tert-butyl 2-[(6-methoxy-1,5-naphthyridin-4-yl)methyl-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]acetate.

Molecular Properties

• Compound Name: tert-butyl 2-[(6-methoxy-1,5-naphthyridin-4-yl)methyl-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]acetate
• PubChem CID: 25115786
• Molecular Formula: C30H35N5O6S
• Molecular Weight: 593.71 g/mol
• Exact Mass: 593.23
• IUPAC Name: tert-butyl 2-[(6-methoxy-1,5-naphthyridin-4-yl)methyl-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]acetate
• SMILES: COc1ccc2nccc(CN(CCCC3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)CC(=O)OC(C)(C)C)c2n1
• InChI: InChI=1S/C30H35N5O6S/c1-30(2,3)41-27(37)17-34(15-19-11-12-31-22-8-10-26(39-4)33-28(19)22)13-5-6-21-16-35(29(38)40-21)20-7-9-24-23(14-20)32-25(36)18-42-24/h7-12,14,21H,5-6,13,15-18H2,1-4H3,(H,32,36)
• InChIKey: SWXVOGSKFAYENX-UHFFFAOYSA-N
• XLogP: 4.63
• TPSA: 123.19 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 10
• Rotatable Bonds: 10
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	593.71
LogP ≤ 5	4.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(6-methoxy-1,5-naphthyridin-4-yl)methyl-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]acetate?

The IUPAC name of tert-butyl 2-[(6-methoxy-1,5-naphthyridin-4-yl)methyl-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]acetate (CID 25115786) is tert-butyl 2-[(6-methoxy-1,5-naphthyridin-4-yl)methyl-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]acetate.

What is the SMILES notation for tert-butyl 2-[(6-methoxy-1,5-naphthyridin-4-yl)methyl-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]acetate?

The canonical SMILES for tert-butyl 2-[(6-methoxy-1,5-naphthyridin-4-yl)methyl-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]acetate is COc1ccc2nccc(CN(CCCC3CN(c4ccc5c(c4)NC(=O)CS5)C(=O)O3)CC(=O)OC(C)(C)C)c2n1.

What is the InChIKey of tert-butyl 2-[(6-methoxy-1,5-naphthyridin-4-yl)methyl-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]acetate?

The InChIKey is SWXVOGSKFAYENX-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H35N5O6S/c1-30(2,3)41-27(37)17-34(15-19-11-12-31-22-8-10-26(39-4)33-28(19)22)13-5-6-21-16-35(29(38)40-21)20-7-9-24-23(14-20)32-25(36)18-42-24/h7-12,14,21H,5-6,13,15-18H2,1-4H3,(H,32,36).

What are the key properties of tert-butyl 2-[(6-methoxy-1,5-naphthyridin-4-yl)methyl-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]acetate?

tert-butyl 2-[(6-methoxy-1,5-naphthyridin-4-yl)methyl-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]acetate has a molecular weight of 593.71 g/mol, XLogP of 4.63, 10 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[(6-methoxy-1,5-naphthyridin-4-yl)methyl-[3-[2-oxo-3-(3-oxo-4H-1,4-benzothiazin-6-yl)-1,3-oxazolidin-5-yl]propyl]amino]acetate is sourced from PubChem (CID 25115786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).