(5R)-5-(fluoromethyl)-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one

C21H20F4N4O3 — CID 24996733

IUPAC(5R)-5-(fluoromethyl)-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(N3C[C@H](CF)OC3=O)cn2)CC1
InChIInChI=1S/C21H20F4N4O3/c22-11-15-13-29(20(31)32-15)14-5-6-18(26-12-14)27-7-9-28(10-8-27)19(30)16-3-1-2-4-17(16)21(23,24)25/h1-6,12,15H,7-11,13H2/t15-/m0/s1
InChIKeyKWJSSBJKGJIZEX-HNNXBMFYSA-N
MW452.41 g/mol
LogP3.36
Rot. Bonds4

About (5R)-5-(fluoromethyl)-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one

(5R)-5-(fluoromethyl)-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one (PubChem CID 24996733) has the molecular formula C21H20F4N4O3 and a molecular weight of 452.41 g/mol. Its IUPAC name is (5R)-5-(fluoromethyl)-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(fluoromethyl)-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one
PubChem CID24996733
Molecular FormulaC21H20F4N4O3
Molecular Weight452.41 g/mol
Exact Mass452.15
IUPAC Name(5R)-5-(fluoromethyl)-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one
SMILESO=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(N3C[C@H](CF)OC3=O)cn2)CC1
InChIInChI=1S/C21H20F4N4O3/c22-11-15-13-29(20(31)32-15)14-5-6-18(26-12-14)27-7-9-28(10-8-27)19(30)16-3-1-2-4-17(16)21(23,24)25/h1-6,12,15H,7-11,13H2/t15-/m0/s1
InChIKeyKWJSSBJKGJIZEX-HNNXBMFYSA-N
XLogP3.36
TPSA65.98 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.41
LogP ≤ 53.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (5R)-5-(fluoromethyl)-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[6-[4-[2-fluoro-5-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 71120832
[4-[5-(hydroxymethyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 71083396
N-[[(5S)-3-[6-(4-acetylpiperazin-1-yl)-3-pyridinyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11739921
(4-pyrazin-2-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 13298543
2-phenyl-6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]pyridazin-3-one
CID 53081858
3-phenyl-N-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]propanamide
CID 11488539
1-pentyl-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]urea
CID 11328730
(4-imidazo[1,2-b]pyridazin-6-ylpiperazin-1-yl)-[2-(trifluoromethyl)phenyl]methanone
CID 141143818
[4-[5-(3-hydroxy-3-phenylprop-1-ynyl)-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 59766734
[4-[5-[3-(4-fluorophenoxy)prop-1-ynyl]-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 59766780
[4-[5-[2-(1-hydroxycyclopentyl)ethynyl]-2-pyridinyl]piperazin-1-yl]-[2-(trifluoromethyl)phenyl]methanone
CID 59766766
N-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]heptanamide
CID 66905780

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(fluoromethyl)-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(fluoromethyl)-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one (CID 24996733) is (5R)-5-(fluoromethyl)-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(fluoromethyl)-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(fluoromethyl)-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one is O=C(c1ccccc1C(F)(F)F)N1CCN(c2ccc(N3C[C@H](CF)OC3=O)cn2)CC1.
What is the InChIKey of (5R)-5-(fluoromethyl)-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one?
The InChIKey is KWJSSBJKGJIZEX-HNNXBMFYSA-N. The full InChI is InChI=1S/C21H20F4N4O3/c22-11-15-13-29(20(31)32-15)14-5-6-18(26-12-14)27-7-9-28(10-8-27)19(30)16-3-1-2-4-17(16)21(23,24)25/h1-6,12,15H,7-11,13H2/t15-/m0/s1.
What are the key properties of (5R)-5-(fluoromethyl)-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one?
(5R)-5-(fluoromethyl)-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one has a molecular weight of 452.41 g/mol, XLogP of 3.36, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(fluoromethyl)-3-[6-[4-[2-(trifluoromethyl)benzoyl]piperazin-1-yl]-3-pyridinyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 24996733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).