N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C16H14FN5O3 — CID 10337481

About N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 10337481) has the molecular formula C16H14FN5O3 and a molecular weight of 343.32 g/mol. Its IUPAC name is N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 10337481
• Molecular Formula: C16H14FN5O3
• Molecular Weight: 343.32 g/mol
• Exact Mass: 343.11
• IUPAC Name: N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-n3cc(C#N)cn3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C16H14FN5O3/c1-10(23)19-7-13-9-21(16(24)25-13)12-2-3-15(14(17)4-12)22-8-11(5-18)6-20-22/h2-4,6,8,13H,7,9H2,1H3,(H,19,23)/t13-/m0/s1
• InChIKey: CNKRAEIVSKYEGR-ZDUSSCGKSA-N
• XLogP: 1.34
• TPSA: 100.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	343.32
LogP ≤ 5	1.34
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 10337481) is N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

What is the SMILES notation for N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The canonical SMILES for N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3cc(C#N)cn3)c(F)c2)C(=O)O1.

What is the InChIKey of N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The InChIKey is CNKRAEIVSKYEGR-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H14FN5O3/c1-10(23)19-7-13-9-21(16(24)25-13)12-2-3-15(14(17)4-12)22-8-11(5-18)6-20-22/h2-4,6,8,13H,7,9H2,1H3,(H,19,23)/t13-/m0/s1.

What are the key properties of N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

N-[[(5S)-3-[4-(4-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 343.32 g/mol, XLogP of 1.34, 4 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-cyanopyrazol-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 10337481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).