N-[[(5S)-3-[3-fluoro-4-[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C19H20FN7O3S — CID 59924368

About N-[[(5S)-3-[3-fluoro-4-[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[3-fluoro-4-[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 59924368) has the molecular formula C19H20FN7O3S and a molecular weight of 445.48 g/mol. Its IUPAC name is N-[[(5S)-3-[3-fluoro-4-[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3-fluoro-4-[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 59924368
• Molecular Formula: C19H20FN7O3S
• Molecular Weight: 445.48 g/mol
• Exact Mass: 445.13
• IUPAC Name: N-[[(5S)-3-[3-fluoro-4-[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(Cn4ncn(C)c4=S)c3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C19H20FN7O3S/c1-12(28)21-6-15-9-26(19(29)30-15)14-3-4-17(16(20)5-14)25-7-13(22-10-25)8-27-18(31)24(2)11-23-27/h3-5,7,10-11,15H,6,8-9H2,1-2H3,(H,21,28)/t15-/m0/s1
• InChIKey: NSWQQKYICGVWNM-HNNXBMFYSA-N
• XLogP: 1.79
• TPSA: 99.21 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	445.48
LogP ≤ 5	1.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of N-[[(5S)-3-[3-fluoro-4-[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 59924368) is N-[[(5S)-3-[3-fluoro-4-[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[(5S)-3-[3-fluoro-4-[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2ccc(-n3cnc(Cn4ncn(C)c4=S)c3)c(F)c2)C(=O)O1.

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

The InChIKey is NSWQQKYICGVWNM-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H20FN7O3S/c1-12(28)21-6-15-9-26(19(29)30-15)14-3-4-17(16(20)5-14)25-7-13(22-10-25)8-27-18(31)24(2)11-23-27/h3-5,7,10-11,15H,6,8-9H2,1-2H3,(H,21,28)/t15-/m0/s1.

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

N-[[(5S)-3-[3-fluoro-4-[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 445.48 g/mol, XLogP of 1.79, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3-fluoro-4-[4-[(4-methyl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]imidazol-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 59924368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).