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

C28H32FN7O5 — CID 91452849

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

tert-butyl 2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]acetate (PubChem CID 91452849) has the molecular formula C28H32FN7O5 and a molecular weight of 565.61 g/mol. Its IUPAC name is tert-butyl 2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]acetate.

Molecular Properties

• Compound Name: tert-butyl 2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]acetate
• PubChem CID: 91452849
• Molecular Formula: C28H32FN7O5
• Molecular Weight: 565.61 g/mol
• Exact Mass: 565.24
• IUPAC Name: tert-butyl 2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]acetate
• SMILES: CN(CC(=O)OC(C)(C)C)C[C@@H]1C=C(c2ccc(-c3ccc(N4C[C@H](Cn5ccnn5)OC4=O)cc3F)cn2)NO1
• InChI: InChI=1S/C28H32FN7O5/c1-28(2,3)40-26(37)17-34(4)14-20-12-25(32-41-20)24-8-5-18(13-30-24)22-7-6-19(11-23(22)29)36-16-21(39-27(36)38)15-35-10-9-31-33-35/h5-13,20-21,32H,14-17H2,1-4H3/t20-,21-/m0/s1
• InChIKey: VEPJGTGMTKGBPR-SFTDATJTSA-N
• XLogP: 3.02
• TPSA: 123.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 11
• Rotatable Bonds: 9
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.61
LogP ≤ 5	3.02
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of tert-butyl 2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]acetate (CID 91452849) is tert-butyl 2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]acetate.

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

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

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

The InChIKey is VEPJGTGMTKGBPR-SFTDATJTSA-N. The full InChI is InChI=1S/C28H32FN7O5/c1-28(2,3)40-26(37)17-34(4)14-20-12-25(32-41-20)24-8-5-18(13-30-24)22-7-6-19(11-23(22)29)36-16-21(39-27(36)38)15-35-10-9-31-33-35/h5-13,20-21,32H,14-17H2,1-4H3/t20-,21-/m0/s1.

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

tert-butyl 2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]acetate has a molecular weight of 565.61 g/mol, XLogP of 3.02, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 2-[[(5S)-3-[5-[2-fluoro-4-[(5R)-2-oxo-5-(triazol-1-ylmethyl)-1,3-oxazolidin-3-yl]phenyl]-2-pyridinyl]-2,5-dihydro-1,2-oxazol-5-yl]methyl-methylamino]acetate is sourced from PubChem (CID 91452849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).