N-[[3-[4-[4-[4-(difluoromethyl)triazol-1-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C20H22F4N6O3 — CID 76561016

About N-[[3-[4-[4-[4-(difluoromethyl)triazol-1-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[3-[4-[4-[4-(difluoromethyl)triazol-1-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 76561016) has the molecular formula C20H22F4N6O3 and a molecular weight of 470.43 g/mol. Its IUPAC name is N-[[3-[4-[4-[4-(difluoromethyl)triazol-1-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[4-[4-[4-(difluoromethyl)triazol-1-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 76561016
• Molecular Formula: C20H22F4N6O3
• Molecular Weight: 470.43 g/mol
• Exact Mass: 470.17
• IUPAC Name: N-[[3-[4-[4-[4-(difluoromethyl)triazol-1-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: CC(=O)NCC1CN(c2cc(F)c(N3CCC(n4cc(C(F)F)nn4)CC3)c(F)c2)C(=O)O1
• InChI: InChI=1S/C20H22F4N6O3/c1-11(31)25-8-14-9-29(20(32)33-14)13-6-15(21)18(16(22)7-13)28-4-2-12(3-5-28)30-10-17(19(23)24)26-27-30/h6-7,10,12,14,19H,2-5,8-9H2,1H3,(H,25,31)
• InChIKey: PDBMVTRAWYHYLK-UHFFFAOYSA-N
• XLogP: 2.80
• TPSA: 92.59 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.43
LogP ≤ 5	2.80
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-[[3-[4-[4-[4-(difluoromethyl)triazol-1-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[3-[4-[4-[4-(difluoromethyl)triazol-1-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 76561016) is N-[[3-[4-[4-[4-(difluoromethyl)triazol-1-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[3-[4-[4-[4-(difluoromethyl)triazol-1-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NCC1CN(c2cc(F)c(N3CCC(n4cc(C(F)F)nn4)CC3)c(F)c2)C(=O)O1.

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

The InChIKey is PDBMVTRAWYHYLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F4N6O3/c1-11(31)25-8-14-9-29(20(32)33-14)13-6-15(21)18(16(22)7-13)28-4-2-12(3-5-28)30-10-17(19(23)24)26-27-30/h6-7,10,12,14,19H,2-5,8-9H2,1H3,(H,25,31).

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

N-[[3-[4-[4-[4-(difluoromethyl)triazol-1-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 470.43 g/mol, XLogP of 2.80, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[4-[4-[4-(difluoromethyl)triazol-1-yl]piperidin-1-yl]-3,5-difluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 76561016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).