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

C21H26F2N6O2 — CID 143415409

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

N-[[3-[3-fluoro-4-[4-[4-(fluoromethyl)triazol-1-yl]piperidin-1-yl]phenyl]-2-methylidene-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 143415409) has the molecular formula C21H26F2N6O2 and a molecular weight of 432.48 g/mol. Its IUPAC name is N-[[3-[3-fluoro-4-[4-[4-(fluoromethyl)triazol-1-yl]piperidin-1-yl]phenyl]-2-methylidene-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

• Compound Name: N-[[3-[3-fluoro-4-[4-[4-(fluoromethyl)triazol-1-yl]piperidin-1-yl]phenyl]-2-methylidene-1,3-oxazolidin-5-yl]methyl]acetamide
• PubChem CID: 143415409
• Molecular Formula: C21H26F2N6O2
• Molecular Weight: 432.48 g/mol
• Exact Mass: 432.21
• IUPAC Name: N-[[3-[3-fluoro-4-[4-[4-(fluoromethyl)triazol-1-yl]piperidin-1-yl]phenyl]-2-methylidene-1,3-oxazolidin-5-yl]methyl]acetamide
• SMILES: C=C1OC(CNC(C)=O)CN1c1ccc(N2CCC(n3cc(CF)nn3)CC2)c(F)c1
• InChI: InChI=1S/C21H26F2N6O2/c1-14(30)24-11-19-13-28(15(2)31-19)18-3-4-21(20(23)9-18)27-7-5-17(6-8-27)29-12-16(10-22)25-26-29/h3-4,9,12,17,19H,2,5-8,10-11,13H2,1H3,(H,24,30)
• InChIKey: UGZONPMDWKMJEO-UHFFFAOYSA-N
• XLogP: 2.54
• TPSA: 75.52 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.48
LogP ≤ 5	2.54
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-[3-fluoro-4-[4-[4-(fluoromethyl)triazol-1-yl]piperidin-1-yl]phenyl]-2-methylidene-1,3-oxazolidin-5-yl]methyl]acetamide?

The IUPAC name of N-[[3-[3-fluoro-4-[4-[4-(fluoromethyl)triazol-1-yl]piperidin-1-yl]phenyl]-2-methylidene-1,3-oxazolidin-5-yl]methyl]acetamide (CID 143415409) is N-[[3-[3-fluoro-4-[4-[4-(fluoromethyl)triazol-1-yl]piperidin-1-yl]phenyl]-2-methylidene-1,3-oxazolidin-5-yl]methyl]acetamide.

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

The canonical SMILES for N-[[3-[3-fluoro-4-[4-[4-(fluoromethyl)triazol-1-yl]piperidin-1-yl]phenyl]-2-methylidene-1,3-oxazolidin-5-yl]methyl]acetamide is C=C1OC(CNC(C)=O)CN1c1ccc(N2CCC(n3cc(CF)nn3)CC2)c(F)c1.

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

The InChIKey is UGZONPMDWKMJEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26F2N6O2/c1-14(30)24-11-19-13-28(15(2)31-19)18-3-4-21(20(23)9-18)27-7-5-17(6-8-27)29-12-16(10-22)25-26-29/h3-4,9,12,17,19H,2,5-8,10-11,13H2,1H3,(H,24,30).

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

N-[[3-[3-fluoro-4-[4-[4-(fluoromethyl)triazol-1-yl]piperidin-1-yl]phenyl]-2-methylidene-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 432.48 g/mol, XLogP of 2.54, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-[3-fluoro-4-[4-[4-(fluoromethyl)triazol-1-yl]piperidin-1-yl]phenyl]-2-methylidene-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 143415409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).