tert-butyl 4-[3-fluoro-4-[(4R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoyl]piperazine-1-carboxylate

C20H26FN3O6 — CID 58484618

About tert-butyl 4-[3-fluoro-4-[(4R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoyl]piperazine-1-carboxylate

tert-butyl 4-[3-fluoro-4-[(4R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoyl]piperazine-1-carboxylate (PubChem CID 58484618) has the molecular formula C20H26FN3O6 and a molecular weight of 423.44 g/mol. Its IUPAC name is tert-butyl 4-[3-fluoro-4-[(4R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoyl]piperazine-1-carboxylate.

Molecular Properties

• Compound Name: tert-butyl 4-[3-fluoro-4-[(4R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoyl]piperazine-1-carboxylate
• PubChem CID: 58484618
• Molecular Formula: C20H26FN3O6
• Molecular Weight: 423.44 g/mol
• Exact Mass: 423.18
• IUPAC Name: tert-butyl 4-[3-fluoro-4-[(4R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoyl]piperazine-1-carboxylate
• SMILES: CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(N3C(=O)OC[C@H]3CO)c(F)c2)CC1
• InChI: InChI=1S/C20H26FN3O6/c1-20(2,3)30-18(27)23-8-6-22(7-9-23)17(26)13-4-5-16(15(21)10-13)24-14(11-25)12-29-19(24)28/h4-5,10,14,25H,6-9,11-12H2,1-3H3/t14-/m1/s1
• InChIKey: BAVFEGUCTJTXQR-CQSZACIVSA-N
• XLogP: 1.84
• TPSA: 99.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	423.44
LogP ≤ 5	1.84
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[3-fluoro-4-[(4R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoyl]piperazine-1-carboxylate?

The IUPAC name of tert-butyl 4-[3-fluoro-4-[(4R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoyl]piperazine-1-carboxylate (CID 58484618) is tert-butyl 4-[3-fluoro-4-[(4R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoyl]piperazine-1-carboxylate.

What is the SMILES notation for tert-butyl 4-[3-fluoro-4-[(4R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoyl]piperazine-1-carboxylate?

The canonical SMILES for tert-butyl 4-[3-fluoro-4-[(4R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoyl]piperazine-1-carboxylate is CC(C)(C)OC(=O)N1CCN(C(=O)c2ccc(N3C(=O)OC[C@H]3CO)c(F)c2)CC1.

What is the InChIKey of tert-butyl 4-[3-fluoro-4-[(4R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoyl]piperazine-1-carboxylate?

The InChIKey is BAVFEGUCTJTXQR-CQSZACIVSA-N. The full InChI is InChI=1S/C20H26FN3O6/c1-20(2,3)30-18(27)23-8-6-22(7-9-23)17(26)13-4-5-16(15(21)10-13)24-14(11-25)12-29-19(24)28/h4-5,10,14,25H,6-9,11-12H2,1-3H3/t14-/m1/s1.

What are the key properties of tert-butyl 4-[3-fluoro-4-[(4R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoyl]piperazine-1-carboxylate?

tert-butyl 4-[3-fluoro-4-[(4R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoyl]piperazine-1-carboxylate has a molecular weight of 423.44 g/mol, XLogP of 1.84, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl 4-[3-fluoro-4-[(4R)-4-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzoyl]piperazine-1-carboxylate is sourced from PubChem (CID 58484618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).