N-[1-methyl-3-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide

C20H21F3N8O4 — CID 118060838

About N-[1-methyl-3-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide

N-[1-methyl-3-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide (PubChem CID 118060838) has the molecular formula C20H21F3N8O4 and a molecular weight of 494.43 g/mol. Its IUPAC name is N-[1-methyl-3-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide.

Molecular Properties

• Compound Name: N-[1-methyl-3-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
• PubChem CID: 118060838
• Molecular Formula: C20H21F3N8O4
• Molecular Weight: 494.43 g/mol
• Exact Mass: 494.16
• IUPAC Name: N-[1-methyl-3-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide
• SMILES: CNCC1CN(c2nn(C)cc2NC(=O)c2coc(-c3ccnc(NCC(F)(F)F)c3)n2)C(=O)O1
• InChI: InChI=1S/C20H21F3N8O4/c1-24-6-12-7-31(19(33)35-12)16-13(8-30(2)29-16)27-17(32)14-9-34-18(28-14)11-3-4-25-15(5-11)26-10-20(21,22)23/h3-5,8-9,12,24H,6-7,10H2,1-2H3,(H,25,26)(H,27,32)
• InChIKey: VJDSHEOELAINRO-UHFFFAOYSA-N
• XLogP: 2.24
• TPSA: 139.44 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 10
• Rotatable Bonds: 8
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	494.43
LogP ≤ 5	2.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	10

Frequently Asked Questions

What is the IUPAC name of N-[1-methyl-3-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

The IUPAC name of N-[1-methyl-3-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide (CID 118060838) is N-[1-methyl-3-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide.

What is the SMILES notation for N-[1-methyl-3-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

The canonical SMILES for N-[1-methyl-3-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide is CNCC1CN(c2nn(C)cc2NC(=O)c2coc(-c3ccnc(NCC(F)(F)F)c3)n2)C(=O)O1.

What is the InChIKey of N-[1-methyl-3-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

The InChIKey is VJDSHEOELAINRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21F3N8O4/c1-24-6-12-7-31(19(33)35-12)16-13(8-30(2)29-16)27-17(32)14-9-34-18(28-14)11-3-4-25-15(5-11)26-10-20(21,22)23/h3-5,8-9,12,24H,6-7,10H2,1-2H3,(H,25,26)(H,27,32).

What are the key properties of N-[1-methyl-3-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide?

N-[1-methyl-3-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide has a molecular weight of 494.43 g/mol, XLogP of 2.24, 8 rotatable bonds, 3 hydrogen bond donors, and 10 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-methyl-3-[5-(methylaminomethyl)-2-oxo-1,3-oxazolidin-3-yl]pyrazol-4-yl]-2-[2-(2,2,2-trifluoroethylamino)-4-pyridinyl]-1,3-oxazole-4-carboxamide is sourced from PubChem (CID 118060838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).