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

C19H21F3N6O3 — CID 68943056

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

N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(triazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 68943056) has the molecular formula C19H21F3N6O3 and a molecular weight of 438.41 g/mol. Its IUPAC name is N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(triazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(triazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 68943056
• Molecular Formula: C19H21F3N6O3
• Molecular Weight: 438.41 g/mol
• Exact Mass: 438.16
• IUPAC Name: N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(triazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCC(n4nccn4)C(F)C3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C19H21F3N6O3/c1-11(29)23-8-13-9-27(19(30)31-13)12-6-14(20)18(15(21)7-12)26-5-2-17(16(22)10-26)28-24-3-4-25-28/h3-4,6-7,13,16-17H,2,5,8-10H2,1H3,(H,23,29)/t13-,16?,17?/m0/s1
• InChIKey: HZDAMBBGGIVKCT-IGEOTXOUSA-N
• XLogP: 1.81
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	438.41
LogP ≤ 5	1.81
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(triazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 68943056) is N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(triazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(triazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2cc(F)c(N3CCC(n4nccn4)C(F)C3)c(F)c2)C(=O)O1.

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

The InChIKey is HZDAMBBGGIVKCT-IGEOTXOUSA-N. The full InChI is InChI=1S/C19H21F3N6O3/c1-11(29)23-8-13-9-27(19(30)31-13)12-6-14(20)18(15(21)7-12)26-5-2-17(16(22)10-26)28-24-3-4-25-28/h3-4,6-7,13,16-17H,2,5,8-10H2,1H3,(H,23,29)/t13-,16?,17?/m0/s1.

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

N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(triazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 438.41 g/mol, XLogP of 1.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[(5S)-3-[3,5-difluoro-4-[3-fluoro-4-(triazol-2-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 68943056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).