N-[2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

C26H18F4N6O4 — CID 118393572

About N-[2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide

N-[2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (PubChem CID 118393572) has the molecular formula C26H18F4N6O4 and a molecular weight of 554.46 g/mol. Its IUPAC name is N-[2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
• PubChem CID: 118393572
• Molecular Formula: C26H18F4N6O4
• Molecular Weight: 554.46 g/mol
• Exact Mass: 554.13
• IUPAC Name: N-[2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
• SMILES: Cn1ccc(-c2cc(C(=O)Nc3cnc(CN4C(=O)COC4=O)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1
• InChI: InChI=1S/C26H18F4N6O4/c1-35-8-7-19(34-35)15-9-16(18(27)10-17(15)26(28,29)30)24(38)32-20-11-31-21(12-36-22(37)13-40-25(36)39)33-23(20)14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,32,38)
• InChIKey: IBNOESYPOHNQCB-UHFFFAOYSA-N
• XLogP: 4.43
• TPSA: 119.31 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	554.46
LogP ≤ 5	4.43
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?

The IUPAC name of N-[2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide (CID 118393572) is N-[2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide.

What is the SMILES notation for N-[2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?

The canonical SMILES for N-[2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is Cn1ccc(-c2cc(C(=O)Nc3cnc(CN4C(=O)COC4=O)nc3-c3ccccc3)c(F)cc2C(F)(F)F)n1.

What is the InChIKey of N-[2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?

The InChIKey is IBNOESYPOHNQCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F4N6O4/c1-35-8-7-19(34-35)15-9-16(18(27)10-17(15)26(28,29)30)24(38)32-20-11-31-21(12-36-22(37)13-40-25(36)39)33-23(20)14-5-3-2-4-6-14/h2-11H,12-13H2,1H3,(H,32,38).

What are the key properties of N-[2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide?

N-[2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide has a molecular weight of 554.46 g/mol, XLogP of 4.43, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[(2,4-dioxo-1,3-oxazolidin-3-yl)methyl]-4-phenylpyrimidin-5-yl]-2-fluoro-5-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide is sourced from PubChem (CID 118393572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).