tert-butyl 2-[[2-[[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetate

C31H37FN8O6 — CID 163433556

About tert-butyl 2-[[2-[[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetate

tert-butyl 2-[[2-[[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetate (PubChem CID 163433556) has the molecular formula C31H37FN8O6 and a molecular weight of 636.69 g/mol. Its IUPAC name is tert-butyl 2-[[2-[[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetate.

Molecular Properties

• Compound Name: tert-butyl 2-[[2-[[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetate
• PubChem CID: 163433556
• Molecular Formula: C31H37FN8O6
• Molecular Weight: 636.69 g/mol
• Exact Mass: 636.28
• IUPAC Name: tert-butyl 2-[[2-[[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetate
• SMILES: CN(CC(=O)OC(C)(C)C)CC(=O)N(C)CC1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1
• InChI: InChI=1S/C31H37FN8O6/c1-31(2,3)45-29(42)19-37(4)18-28(41)38(5)15-22-13-27(35-46-22)26-9-6-20(14-33-26)24-8-7-21(12-25(24)32)40-17-23(44-30(40)43)16-39-11-10-34-36-39/h6-12,14,22-23H,13,15-19H2,1-5H3/t22?,23-/m0/s1
• InChIKey: ASNHDRAGIDWCMV-WCSIJFPASA-N
• XLogP: 2.73
• TPSA: 144.58 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 11
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	636.69
LogP ≤ 5	2.73
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[[2-[[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetate?

The IUPAC name of tert-butyl 2-[[2-[[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetate (CID 163433556) is tert-butyl 2-[[2-[[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetate.

What is the SMILES notation for tert-butyl 2-[[2-[[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetate?

The canonical SMILES for tert-butyl 2-[[2-[[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetate is CN(CC(=O)OC(C)(C)C)CC(=O)N(C)CC1CC(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)=NO1.

What is the InChIKey of tert-butyl 2-[[2-[[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetate?

The InChIKey is ASNHDRAGIDWCMV-WCSIJFPASA-N. The full InChI is InChI=1S/C31H37FN8O6/c1-31(2,3)45-29(42)19-37(4)18-28(41)38(5)15-22-13-27(35-46-22)26-9-6-20(14-33-26)24-8-7-21(12-25(24)32)40-17-23(44-30(40)43)16-39-11-10-34-36-39/h6-12,14,22-23H,13,15-19H2,1-5H3/t22?,23-/m0/s1.

What are the key properties of tert-butyl 2-[[2-[[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetate?

tert-butyl 2-[[2-[[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetate has a molecular weight of 636.69 g/mol, XLogP of 2.73, 11 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[[2-[[3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-4,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]-2-oxoethyl]-methylamino]acetate is sourced from PubChem (CID 163433556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).