N-[[3-[3-fluoro-4-[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C22H20FN3O3S2 — CID 22274225

About N-[[3-[3-fluoro-4-[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 22274225) has the molecular formula C22H20FN3O3S2 and a molecular weight of 457.55 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[3-fluoro-4-[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 22274225
• Molecular Formula: C22H20FN3O3S2
• Molecular Weight: 457.55 g/mol
• Exact Mass: 457.09
• IUPAC Name: N-[[3-[3-fluoro-4-[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NCC1CN(c2ccc(-c3ccc(CSc4nccs4)cc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C22H20FN3O3S2/c1-14(27)25-11-18-12-26(22(28)29-18)17-6-7-19(20(23)10-17)16-4-2-15(3-5-16)13-31-21-24-8-9-30-21/h2-10,18H,11-13H2,1H3,(H,25,27)
• InChIKey: PVMVAGJJRWNVEW-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 71.53 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	457.55
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[3-[3-fluoro-4-[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 22274225) is N-[[3-[3-fluoro-4-[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[3-[3-fluoro-4-[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[3-[3-fluoro-4-[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc(CSc4nccs4)cc3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[3-[3-fluoro-4-[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is PVMVAGJJRWNVEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN3O3S2/c1-14(27)25-11-18-12-26(22(28)29-18)17-6-7-19(20(23)10-17)16-4-2-15(3-5-16)13-31-21-24-8-9-30-21/h2-10,18H,11-13H2,1H3,(H,25,27).

What are the key properties of N-[[3-[3-fluoro-4-[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[3-[3-fluoro-4-[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 457.55 g/mol, XLogP of 4.70, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[3-fluoro-4-[4-(1,3-thiazol-2-ylsulfanylmethyl)phenyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 22274225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).