N-[[3-[3-fluoro-4-[5-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]thiophen-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H20FN3O5S — CID 10137708

About N-[[3-[3-fluoro-4-[5-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]thiophen-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[5-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]thiophen-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10137708) has the molecular formula C20H20FN3O5S and a molecular weight of 433.46 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[5-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]thiophen-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[3-fluoro-4-[5-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]thiophen-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 10137708
• Molecular Formula: C20H20FN3O5S
• Molecular Weight: 433.46 g/mol
• Exact Mass: 433.11
• IUPAC Name: N-[[3-[3-fluoro-4-[5-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]thiophen-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NCC1CN(c2ccc(-c3ccc(C4=NOC(CO)C4)s3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C20H20FN3O5S/c1-11(26)22-8-14-9-24(20(27)28-14)12-2-3-15(16(21)6-12)18-4-5-19(30-18)17-7-13(10-25)29-23-17/h2-6,13-14,25H,7-10H2,1H3,(H,22,26)
• InChIKey: HNUGIVLXBIIOAH-UHFFFAOYSA-N
• XLogP: 2.50
• TPSA: 100.46 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	433.46
LogP ≤ 5	2.50
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[[3-[3-fluoro-4-[5-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]thiophen-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10137708) is N-[[3-[3-fluoro-4-[5-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]thiophen-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[3-[3-fluoro-4-[5-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]thiophen-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc(C4=NOC(CO)C4)s3)c(F)c2)C(=O)O1.

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

The InChIKey is HNUGIVLXBIIOAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20FN3O5S/c1-11(26)22-8-14-9-24(20(27)28-14)12-2-3-15(16(21)6-12)18-4-5-19(30-18)17-7-13(10-25)29-23-17/h2-6,13-14,25H,7-10H2,1H3,(H,22,26).

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

N-[[3-[3-fluoro-4-[5-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]thiophen-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 433.46 g/mol, XLogP of 2.50, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[3-fluoro-4-[5-[5-(hydroxymethyl)-4,5-dihydro-1,2-oxazol-3-yl]thiophen-2-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10137708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).