[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl 2-aminoacetate

C22H21FN6O6 — CID 11365411

About [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl 2-aminoacetate

[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl 2-aminoacetate (PubChem CID 11365411) has the molecular formula C22H21FN6O6 and a molecular weight of 484.44 g/mol. Its IUPAC name is [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl 2-aminoacetate.

Molecular Properties

• Compound Name: [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl 2-aminoacetate
• PubChem CID: 11365411
• Molecular Formula: C22H21FN6O6
• Molecular Weight: 484.44 g/mol
• Exact Mass: 484.15
• IUPAC Name: [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl 2-aminoacetate
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4noc(COC(=O)CN)n4)nc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C22H21FN6O6/c1-12(30)25-9-15-10-29(22(32)34-15)14-3-4-16(17(23)6-14)13-2-5-18(26-8-13)21-27-19(35-28-21)11-33-20(31)7-24/h2-6,8,15H,7,9-11,24H2,1H3,(H,25,30)/t15-/m0/s1
• InChIKey: NUMGMALMGVWAMM-HNNXBMFYSA-N
• XLogP: 1.40
• TPSA: 162.77 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	484.44
LogP ≤ 5	1.40
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl 2-aminoacetate?

The IUPAC name of [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl 2-aminoacetate (CID 11365411) is [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl 2-aminoacetate.

What is the SMILES notation for [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl 2-aminoacetate?

The canonical SMILES for [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl 2-aminoacetate is CC(=O)NC[C@H]1CN(c2ccc(-c3ccc(-c4noc(COC(=O)CN)n4)nc3)c(F)c2)C(=O)O1.

What is the InChIKey of [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl 2-aminoacetate?

The InChIKey is NUMGMALMGVWAMM-HNNXBMFYSA-N. The full InChI is InChI=1S/C22H21FN6O6/c1-12(30)25-9-15-10-29(22(32)34-15)14-3-4-16(17(23)6-14)13-2-5-18(26-8-13)21-27-19(35-28-21)11-33-20(31)7-24/h2-6,8,15H,7,9-11,24H2,1H3,(H,25,30)/t15-/m0/s1.

What are the key properties of [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl 2-aminoacetate?

[3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl 2-aminoacetate has a molecular weight of 484.44 g/mol, XLogP of 1.40, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for [3-[5-[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]-2-pyridinyl]-1,2,4-oxadiazol-5-yl]methyl 2-aminoacetate is sourced from PubChem (CID 11365411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).