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

C18H20F3N7O3 — CID 68943203

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

N-[[3-[3,5-difluoro-4-[3-fluoro-4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 68943203) has the molecular formula C18H20F3N7O3 and a molecular weight of 439.40 g/mol. Its IUPAC name is N-[[3-[3,5-difluoro-4-[3-fluoro-4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[3,5-difluoro-4-[3-fluoro-4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 68943203
• Molecular Formula: C18H20F3N7O3
• Molecular Weight: 439.40 g/mol
• Exact Mass: 439.16
• IUPAC Name: N-[[3-[3,5-difluoro-4-[3-fluoro-4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NCC1CN(c2cc(F)c(N3CCC(n4cnnn4)C(F)C3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C18H20F3N7O3/c1-10(29)22-6-12-7-27(18(30)31-12)11-4-13(19)17(14(20)5-11)26-3-2-16(15(21)8-26)28-9-23-24-25-28/h4-5,9,12,15-16H,2-3,6-8H2,1H3,(H,22,29)
• InChIKey: FCNAJSYNCSXYAJ-UHFFFAOYSA-N
• XLogP: 1.20
• TPSA: 105.48 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.40
LogP ≤ 5	1.20
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

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

The IUPAC name of N-[[3-[3,5-difluoro-4-[3-fluoro-4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 68943203) is N-[[3-[3,5-difluoro-4-[3-fluoro-4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[3-[3,5-difluoro-4-[3-fluoro-4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2cc(F)c(N3CCC(n4cnnn4)C(F)C3)c(F)c2)C(=O)O1.

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

The InChIKey is FCNAJSYNCSXYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20F3N7O3/c1-10(29)22-6-12-7-27(18(30)31-12)11-4-13(19)17(14(20)5-11)26-3-2-16(15(21)8-26)28-9-23-24-25-28/h4-5,9,12,15-16H,2-3,6-8H2,1H3,(H,22,29).

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

N-[[3-[3,5-difluoro-4-[3-fluoro-4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 439.40 g/mol, XLogP of 1.20, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[3,5-difluoro-4-[3-fluoro-4-(tetrazol-1-yl)piperidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 68943203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).