N-[[3-(methoxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

C24H22F3N5O4 — CID 11852868

About N-[[3-(methoxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide

N-[[3-(methoxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (PubChem CID 11852868) has the molecular formula C24H22F3N5O4 and a molecular weight of 501.47 g/mol. Its IUPAC name is N-[[3-(methoxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[[3-(methoxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• PubChem CID: 11852868
• Molecular Formula: C24H22F3N5O4
• Molecular Weight: 501.47 g/mol
• Exact Mass: 501.16
• IUPAC Name: N-[[3-(methoxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide
• SMILES: COCc1cc(CNC(=O)c2cc(-c3ccnn3C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)on1
• InChI: InChI=1S/C24H22F3N5O4/c1-14-19(21-7-8-29-31(21)2)11-20(22(33)28-12-18-10-16(13-35-3)30-36-18)23(34)32(14)17-6-4-5-15(9-17)24(25,26)27/h4-11H,12-13H2,1-3H3,(H,28,33)
• InChIKey: PSTDSQBQASAKOM-UHFFFAOYSA-N
• XLogP: 3.63
• TPSA: 104.18 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	501.47
LogP ≤ 5	3.63
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[[3-(methoxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The IUPAC name of N-[[3-(methoxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide (CID 11852868) is N-[[3-(methoxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide.

What is the SMILES notation for N-[[3-(methoxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The canonical SMILES for N-[[3-(methoxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is COCc1cc(CNC(=O)c2cc(-c3ccnn3C)c(C)n(-c3cccc(C(F)(F)F)c3)c2=O)on1.

What is the InChIKey of N-[[3-(methoxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

The InChIKey is PSTDSQBQASAKOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N5O4/c1-14-19(21-7-8-29-31(21)2)11-20(22(33)28-12-18-10-16(13-35-3)30-36-18)23(34)32(14)17-6-4-5-15(9-17)24(25,26)27/h4-11H,12-13H2,1-3H3,(H,28,33).

What are the key properties of N-[[3-(methoxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide?

N-[[3-(methoxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide has a molecular weight of 501.47 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[[3-(methoxymethyl)-1,2-oxazol-5-yl]methyl]-6-methyl-5-(2-methylpyrazol-3-yl)-2-oxo-1-[3-(trifluoromethyl)phenyl]pyridine-3-carboxamide is sourced from PubChem (CID 11852868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).