3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C16H12ClF3N4O3 — CID 168849321

IUPAC3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)C1CN([C@H](c2ccc(Cl)cc2)c2ccnc(C(F)(F)F)n2)C(=O)O1
InChIInChI=1S/C16H12ClF3N4O3/c17-9-3-1-8(2-4-9)12(24-7-11(13(21)25)27-15(24)26)10-5-6-22-14(23-10)16(18,19)20/h1-6,11-12H,7H2,(H2,21,25)/t11?,12-/m1/s1
InChIKeyIFJDYVGIDWSMJE-PIJUOVFKSA-N
MW400.74 g/mol
LogP2.54
Rot. Bonds4

About 3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 168849321) has the molecular formula C16H12ClF3N4O3 and a molecular weight of 400.74 g/mol. Its IUPAC name is 3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID168849321
Molecular FormulaC16H12ClF3N4O3
Molecular Weight400.74 g/mol
Exact Mass400.06
IUPAC Name3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESNC(=O)C1CN([C@H](c2ccc(Cl)cc2)c2ccnc(C(F)(F)F)n2)C(=O)O1
InChIInChI=1S/C16H12ClF3N4O3/c17-9-3-1-8(2-4-9)12(24-7-11(13(21)25)27-15(24)26)10-5-6-22-14(23-10)16(18,19)20/h1-6,11-12H,7H2,(H2,21,25)/t11?,12-/m1/s1
InChIKeyIFJDYVGIDWSMJE-PIJUOVFKSA-N
XLogP2.54
TPSA98.41 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.74
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide with MolForge

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Related Compounds

US11370784, Example 26
CID 141758434
(4S)-N-[(4-chlorophenyl)-[5-chloro-4-(trifluoromethyl)pyrimidin-2-yl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520743
(4S)-N-[(2-chloro-4-fluorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide
CID 71457930
(4S)-N-[(2,4-dichlorophenyl)methyl]-3-methyl-2-oxo-1-[4-(trifluoromethyl)pyrimidin-2-yl]imidazolidine-4-carboxamide
CID 71459839
N-[2-chloro-5-(trifluoromethyl)phenyl]-2-[(4-methylpyrimidin-2-yl)oxy]acetamide
CID 52417078
N-[(4-chlorophenyl)-pyrimidin-4-ylmethyl]-2-oxo-6-(trifluoromethyl)-1H-pyridine-3-carboxamide
CID 155464809
US20240246932, Example 68B
CID 166110712
US20240246932, Example 68A
CID 166110837
N-[[(6S)-3-(4-chlorophenyl)-6,8-dihydro-5H-imidazo[2,1-c][1,4]oxazin-6-yl]methyl]-2-methoxyacetamide
CID 75411314
N-[4-(4-chlorophenyl)-3-phenylbutan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide
CID 11755384
3-[4-[2-(3-Chloroanilino)pyrimidin-4-yl]pyridin-2-yl]-4-(trifluoromethyl)-1,3-oxazolidin-2-one
CID 22027862
N-[4-(4-chlorophenyl)-3-(5-chloropyridin-3-yl)butan-2-yl]-2-methyl-2-[4-(trifluoromethyl)pyrimidin-2-yl]oxypropanamide
CID 22270451

Frequently Asked Questions

What is the IUPAC name of 3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of 3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 168849321) is 3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for 3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for 3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is NC(=O)C1CN([C@H](c2ccc(Cl)cc2)c2ccnc(C(F)(F)F)n2)C(=O)O1.
What is the InChIKey of 3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is IFJDYVGIDWSMJE-PIJUOVFKSA-N. The full InChI is InChI=1S/C16H12ClF3N4O3/c17-9-3-1-8(2-4-9)12(24-7-11(13(21)25)27-15(24)26)10-5-6-22-14(23-10)16(18,19)20/h1-6,11-12H,7H2,(H2,21,25)/t11?,12-/m1/s1.
What are the key properties of 3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 400.74 g/mol, XLogP of 2.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(R)-(4-chlorophenyl)-[2-(trifluoromethyl)pyrimidin-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 168849321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).