(4S,5R)-5-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[[2-(2-hydroxyethylamino)-3-pyridinyl]methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide

C21H22F4N4O4 — CID 129273428

About (4S,5R)-5-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[[2-(2-hydroxyethylamino)-3-pyridinyl]methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide

(4S,5R)-5-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[[2-(2-hydroxyethylamino)-3-pyridinyl]methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide (PubChem CID 129273428) has the molecular formula C21H22F4N4O4 and a molecular weight of 470.42 g/mol. Its IUPAC name is (4S,5R)-5-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[[2-(2-hydroxyethylamino)-3-pyridinyl]methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide.

Molecular Properties

• Compound Name: (4S,5R)-5-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[[2-(2-hydroxyethylamino)-3-pyridinyl]methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide
• PubChem CID: 129273428
• Molecular Formula: C21H22F4N4O4
• Molecular Weight: 470.42 g/mol
• Exact Mass: 470.16
• IUPAC Name: (4S,5R)-5-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[[2-(2-hydroxyethylamino)-3-pyridinyl]methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide
• SMILES: C[C@H]1[C@@H](c2cc(CF)cc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1cccnc1NCCO
• InChI: InChI=1S/C21H22F4N4O4/c1-12-17(15-7-13(10-22)8-16(9-15)21(23,24)25)33-20(32)29(12)19(31)28-11-14-3-2-4-26-18(14)27-5-6-30/h2-4,7-9,12,17,30H,5-6,10-11H2,1H3,(H,26,27)(H,28,31)/t12-,17-/m0/s1
• InChIKey: CTLZGFAKUXPYNX-SJCJKPOMSA-N
• XLogP: 3.77
• TPSA: 103.79 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	470.42
LogP ≤ 5	3.77
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-5-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[[2-(2-hydroxyethylamino)-3-pyridinyl]methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?

The IUPAC name of (4S,5R)-5-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[[2-(2-hydroxyethylamino)-3-pyridinyl]methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide (CID 129273428) is (4S,5R)-5-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[[2-(2-hydroxyethylamino)-3-pyridinyl]methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide.

What is the SMILES notation for (4S,5R)-5-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[[2-(2-hydroxyethylamino)-3-pyridinyl]methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?

The canonical SMILES for (4S,5R)-5-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[[2-(2-hydroxyethylamino)-3-pyridinyl]methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide is C[C@H]1[C@@H](c2cc(CF)cc(C(F)(F)F)c2)OC(=O)N1C(=O)NCc1cccnc1NCCO.

What is the InChIKey of (4S,5R)-5-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[[2-(2-hydroxyethylamino)-3-pyridinyl]methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?

The InChIKey is CTLZGFAKUXPYNX-SJCJKPOMSA-N. The full InChI is InChI=1S/C21H22F4N4O4/c1-12-17(15-7-13(10-22)8-16(9-15)21(23,24)25)33-20(32)29(12)19(31)28-11-14-3-2-4-26-18(14)27-5-6-30/h2-4,7-9,12,17,30H,5-6,10-11H2,1H3,(H,26,27)(H,28,31)/t12-,17-/m0/s1.

What are the key properties of (4S,5R)-5-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[[2-(2-hydroxyethylamino)-3-pyridinyl]methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide?

(4S,5R)-5-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[[2-(2-hydroxyethylamino)-3-pyridinyl]methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide has a molecular weight of 470.42 g/mol, XLogP of 3.77, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for (4S,5R)-5-[3-(fluoromethyl)-5-(trifluoromethyl)phenyl]-N-[[2-(2-hydroxyethylamino)-3-pyridinyl]methyl]-4-methyl-2-oxo-1,3-oxazolidine-3-carboxamide is sourced from PubChem (CID 129273428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).