N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide

C22H33FN4O3Si — CID 68773740

About N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 68773740) has the molecular formula C22H33FN4O3Si and a molecular weight of 448.62 g/mol. Its IUPAC name is N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 68773740
• Molecular Formula: C22H33FN4O3Si
• Molecular Weight: 448.62 g/mol
• Exact Mass: 448.23
• IUPAC Name: N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(CO[Si](C)(C)C(C)(C)C)c3)c(F)c2)CO1
• InChI: InChI=1S/C22H33FN4O3Si/c1-16(28)24-10-19-12-27(15-29-19)18-7-8-21(20(23)9-18)26-11-17(25-14-26)13-30-31(5,6)22(2,3)4/h7-9,11,14,19H,10,12-13,15H2,1-6H3,(H,24,28)/t19-/m0/s1
• InChIKey: SXXJWEHIABPJRN-IBGZPJMESA-N
• XLogP: 3.83
• TPSA: 68.62 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	448.62
LogP ≤ 5	3.83
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'heavy_metal', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide (CID 68773740) is N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(CO[Si](C)(C)C(C)(C)C)c3)c(F)c2)CO1.

What is the InChIKey of N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is SXXJWEHIABPJRN-IBGZPJMESA-N. The full InChI is InChI=1S/C22H33FN4O3Si/c1-16(28)24-10-19-12-27(15-29-19)18-7-8-21(20(23)9-18)26-11-17(25-14-26)13-30-31(5,6)22(2,3)4/h7-9,11,14,19H,10,12-13,15H2,1-6H3,(H,24,28)/t19-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 448.62 g/mol, XLogP of 3.83, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[4-[4-[[tert-butyl(dimethyl)silyl]oxymethyl]imidazol-1-yl]-3-fluorophenyl]-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 68773740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).