tert-butyl N-[2-[[3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate;ethane

C26H33FN4O6 — CID 145300081

About tert-butyl N-[2-[[3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate;ethane

tert-butyl N-[2-[[3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate;ethane (PubChem CID 145300081) has the molecular formula C26H33FN4O6 and a molecular weight of 516.57 g/mol. Its IUPAC name is tert-butyl N-[2-[[3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate;ethane.

Molecular Properties

• Compound Name: tert-butyl N-[2-[[3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate;ethane
• PubChem CID: 145300081
• Molecular Formula: C26H33FN4O6
• Molecular Weight: 516.57 g/mol
• Exact Mass: 516.24
• IUPAC Name: tert-butyl N-[2-[[3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate;ethane
• SMILES: CC.CC(C)(C)OC(=O)NCC(=O)NCC1CN(c2ccc(-c3ccc(C(N)=O)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C24H27FN4O6.C2H6/c1-24(2,3)35-22(32)28-12-20(30)27-11-17-13-29(23(33)34-17)16-8-9-18(19(25)10-16)14-4-6-15(7-5-14)21(26)31;1-2/h4-10,17H,11-13H2,1-3H3,(H2,26,31)(H,27,30)(H,28,32);1-2H3
• InChIKey: ZSPXHFVXGWHXOJ-UHFFFAOYSA-N
• XLogP: 3.58
• TPSA: 140.06 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	516.57
LogP ≤ 5	3.58
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-[[3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate;ethane?

The IUPAC name of tert-butyl N-[2-[[3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate;ethane (CID 145300081) is tert-butyl N-[2-[[3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate;ethane.

What is the SMILES notation for tert-butyl N-[2-[[3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate;ethane?

The canonical SMILES for tert-butyl N-[2-[[3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate;ethane is CC.CC(C)(C)OC(=O)NCC(=O)NCC1CN(c2ccc(-c3ccc(C(N)=O)cc3)c(F)c2)C(=O)O1.

What is the InChIKey of tert-butyl N-[2-[[3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate;ethane?

The InChIKey is ZSPXHFVXGWHXOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27FN4O6.C2H6/c1-24(2,3)35-22(32)28-12-20(30)27-11-17-13-29(23(33)34-17)16-8-9-18(19(25)10-16)14-4-6-15(7-5-14)21(26)31;1-2/h4-10,17H,11-13H2,1-3H3,(H2,26,31)(H,27,30)(H,28,32);1-2H3.

What are the key properties of tert-butyl N-[2-[[3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate;ethane?

tert-butyl N-[2-[[3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate;ethane has a molecular weight of 516.57 g/mol, XLogP of 3.58, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for tert-butyl N-[2-[[3-[4-(4-carbamoylphenyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methylamino]-2-oxoethyl]carbamate;ethane is sourced from PubChem (CID 145300081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).