(5S)-N-[(S)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C17H12Cl2F3N3O3 — CID 162520565

IUPAC(5S)-N-[(S)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccc(Cl)c(C(F)(F)F)n2)O1
InChIInChI=1S/C17H12Cl2F3N3O3/c18-9-3-1-8(2-4-9)13(25-15(26)12-7-23-16(27)28-12)11-6-5-10(19)14(24-11)17(20,21)22/h1-6,12-13H,7H2,(H,23,27)(H,25,26)/t12-,13-/m0/s1
InChIKeySOXWMZCZFUTFCE-STQMWFEESA-N
MW434.20 g/mol
LogP3.72
Rot. Bonds4

About (5S)-N-[(S)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-N-[(S)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 162520565) has the molecular formula C17H12Cl2F3N3O3 and a molecular weight of 434.20 g/mol. Its IUPAC name is (5S)-N-[(S)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(S)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID162520565
Molecular FormulaC17H12Cl2F3N3O3
Molecular Weight434.20 g/mol
Exact Mass433.02
IUPAC Name(5S)-N-[(S)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccc(Cl)c(C(F)(F)F)n2)O1
InChIInChI=1S/C17H12Cl2F3N3O3/c18-9-3-1-8(2-4-9)13(25-15(26)12-7-23-16(27)28-12)11-6-5-10(19)14(24-11)17(20,21)22/h1-6,12-13H,7H2,(H,23,27)(H,25,26)/t12-,13-/m0/s1
InChIKeySOXWMZCZFUTFCE-STQMWFEESA-N
XLogP3.72
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.20
LogP ≤ 53.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (5S)-N-[(S)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide with MolForge

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Related Compounds

(S)-N-((R)-(5-chloro-6-(trifluoromethyl)pyridin-2-yl)(4-chlorophenyl)methyl)-2-oxooxazolidine-5-carboxamide and (S)-N-((S)-(5-chloro-6-(trifluoromethyl)pyridin-2-yl)(4-chlorophenyl)methyl)-2-oxooxazolidine-5-carboxamide
CID 162520641
(S)-N-((R or S)-(3-chloro-4-fluorophenyl)(5-chloropyridin-2-yl)methyl)-2-oxooxazolidine-5-carboxamide
CID 162520567
(S)-N-((R or S)-(4-chlorophenyl)(5-fluoropyridin-2-yl)methyl)-2-oxooxazolidine-5-carboxamide
CID 162520624
(S)-N-((R or S)-(3-chloro-4-fluorophenyl)(5-chloropyridin-3-yl)methyl)-2-oxooxazolidine-5-carboxamide
CID 162520660
(S)-N-((R and S)-(4-chlorophenyl)(6-(difluoromethyl)-5-fluoropyridin-2-yl)methyl)-2-oxooxazolidine-5-carboxamide
CID 162520674
4-{3-[5-(4-chlorophenyl)-1H-pyrrol-2-yl]propanoyl}-2-(trifluoromethyl)morpholine
CID 56879161
US12516046, Example 38
CID 178289858
(S)-N-((R or S)-(3-chloro-4-fluorophenyl)(6-(trifluoromethyl) pyridin-2-yl)methyl)-2-oxooxazolidine-5-carboxamide
CID 178289863
(S)-N-((R or S)-(5-chloro-6-(trifluoromethyl) pyridin-2-yl)(4,4-difluoro-cyclohexyl)methyl)-2-oxooxazolidine-5-carboxamide
CID 178289873
(5S)-N-[(R)-(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520568
(5S)-N-[(S)-(4-chlorophenyl)-(5-fluoro-2-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520577
(5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520586

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(S)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[(S)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 162520565) is (5S)-N-[(S)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[(S)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[(S)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is O=C1NC[C@@H](C(=O)N[C@@H](c2ccc(Cl)cc2)c2ccc(Cl)c(C(F)(F)F)n2)O1.
What is the InChIKey of (5S)-N-[(S)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is SOXWMZCZFUTFCE-STQMWFEESA-N. The full InChI is InChI=1S/C17H12Cl2F3N3O3/c18-9-3-1-8(2-4-9)13(25-15(26)12-7-23-16(27)28-12)11-6-5-10(19)14(24-11)17(20,21)22/h1-6,12-13H,7H2,(H,23,27)(H,25,26)/t12-,13-/m0/s1.
What are the key properties of (5S)-N-[(S)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[(S)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 434.20 g/mol, XLogP of 3.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(S)-(4-chlorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 162520565), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).