N-[[3-[3-fluoro-4-[6-[(1,3-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C22H22FN5O4 — CID 22274157

About N-[[3-[3-fluoro-4-[6-[(1,3-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[3-fluoro-4-[6-[(1,3-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 22274157) has the molecular formula C22H22FN5O4 and a molecular weight of 439.45 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[6-[(1,3-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[3-fluoro-4-[6-[(1,3-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 22274157
• Molecular Formula: C22H22FN5O4
• Molecular Weight: 439.45 g/mol
• Exact Mass: 439.17
• IUPAC Name: N-[[3-[3-fluoro-4-[6-[(1,3-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NCC1CN(c2ccc(-c3ccc(CNCc4cocn4)nc3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C22H22FN5O4/c1-14(29)25-10-19-11-28(22(30)32-19)18-4-5-20(21(23)6-18)15-2-3-16(26-7-15)8-24-9-17-12-31-13-27-17/h2-7,12-13,19,24H,8-11H2,1H3,(H,25,29)
• InChIKey: XLAWUGWNJMFILY-UHFFFAOYSA-N
• XLogP: 2.63
• TPSA: 109.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.45
LogP ≤ 5	2.63
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[[3-[3-fluoro-4-[6-[(1,3-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[3-[3-fluoro-4-[6-[(1,3-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 22274157) is N-[[3-[3-fluoro-4-[6-[(1,3-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[3-[3-fluoro-4-[6-[(1,3-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[3-[3-fluoro-4-[6-[(1,3-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2ccc(-c3ccc(CNCc4cocn4)nc3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[3-[3-fluoro-4-[6-[(1,3-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is XLAWUGWNJMFILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22FN5O4/c1-14(29)25-10-19-11-28(22(30)32-19)18-4-5-20(21(23)6-18)15-2-3-16(26-7-15)8-24-9-17-12-31-13-27-17/h2-7,12-13,19,24H,8-11H2,1H3,(H,25,29).

What are the key properties of N-[[3-[3-fluoro-4-[6-[(1,3-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[3-[3-fluoro-4-[6-[(1,3-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 439.45 g/mol, XLogP of 2.63, 8 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-[6-[(1,3-oxazol-4-ylmethylamino)methyl]-3-pyridinyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 22274157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).