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

C17H11ClF5N3O3 — CID 162520586

IUPAC(5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2ccc(F)c(C(F)(F)F)n2)O1
InChIInChI=1S/C17H11ClF5N3O3/c18-8-5-7(1-2-9(8)19)13(26-15(27)12-6-24-16(28)29-12)11-4-3-10(20)14(25-11)17(21,22)23/h1-5,12-13H,6H2,(H,24,28)(H,26,27)/t12-,13?/m0/s1
InChIKeyGGSAOZXPBRZVLE-UEWDXFNNSA-N
MW435.74 g/mol
LogP3.35
Rot. Bonds4

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

(5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 162520586) has the molecular formula C17H11ClF5N3O3 and a molecular weight of 435.74 g/mol. Its IUPAC name is (5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID162520586
Molecular FormulaC17H11ClF5N3O3
Molecular Weight435.74 g/mol
Exact Mass435.04
IUPAC Name(5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2ccc(F)c(C(F)(F)F)n2)O1
InChIInChI=1S/C17H11ClF5N3O3/c18-8-5-7(1-2-9(8)19)13(26-15(27)12-6-24-16(28)29-12)11-4-3-10(20)14(25-11)17(21,22)23/h1-5,12-13H,6H2,(H,24,28)(H,26,27)/t12-,13?/m0/s1
InChIKeyGGSAOZXPBRZVLE-UEWDXFNNSA-N
XLogP3.35
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.74
LogP ≤ 53.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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

(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
US11802122, Example 62A
CID 162520921
(3S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]methyl]-5-oxopyrrolidine-3-carboxamide
CID 168287438
(4S)-N-[(3-chloro-4-fluorophenyl)-[5-chloro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 166908048
(S)-N-((R or S)-(3-chloro-2,4-difluorophenyl)(6-(difluoromethyl)-5-fluoropyridin-2-yl)methyl)-2-oxoimidazolidine-4-carboxamide
CID 162520785
US11802122, Example 63B
CID 162520840
(4S)-N-[(3-chloro-2,4-difluorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxoimidazolidine-4-carboxamide
CID 162520749
(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
(S)-N-((R)-(3-chloro-4-fluorophenyl)(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)-2-oxooxazolidine-5-carboxamide and (S)-N-((S)-(3-chloro-4-fluorophenyl)(5-fluoro-6-(2,2,2-trifluoroethoxy)pyridin-2-yl)methyl)-2-oxooxazolidine-5-carboxamide
CID 162520678

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 162520586) is (5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is O=C1NC[C@@H](C(=O)NC(c2ccc(F)c(Cl)c2)c2ccc(F)c(C(F)(F)F)n2)O1.
What is the InChIKey of (5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is GGSAOZXPBRZVLE-UEWDXFNNSA-N. The full InChI is InChI=1S/C17H11ClF5N3O3/c18-8-5-7(1-2-9(8)19)13(26-15(27)12-6-24-16(28)29-12)11-4-3-10(20)14(25-11)17(21,22)23/h1-5,12-13H,6H2,(H,24,28)(H,26,27)/t12-,13?/m0/s1.
What are the key properties of (5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 435.74 g/mol, XLogP of 3.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 162520586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).