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

C18H13ClF5N3O4 — CID 162520678

IUPAC(5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-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(OCC(F)(F)F)n2)O1
InChIInChI=1S/C18H13ClF5N3O4/c19-9-5-8(1-2-10(9)20)14(27-15(28)13-6-25-17(29)31-13)12-4-3-11(21)16(26-12)30-7-18(22,23)24/h1-5,13-14H,6-7H2,(H,25,29)(H,27,28)/t13-,14?/m0/s1
InChIKeyWXKJWZLZWMEANB-LSLKUGRBSA-N
MW465.76 g/mol
LogP3.27
Rot. Bonds6

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

(5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 162520678) has the molecular formula C18H13ClF5N3O4 and a molecular weight of 465.76 g/mol. Its IUPAC name is (5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID162520678
Molecular FormulaC18H13ClF5N3O4
Molecular Weight465.76 g/mol
Exact Mass465.05
IUPAC Name(5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-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(OCC(F)(F)F)n2)O1
InChIInChI=1S/C18H13ClF5N3O4/c19-9-5-8(1-2-10(9)20)14(27-15(28)13-6-25-17(29)31-13)12-4-3-11(21)16(26-12)30-7-18(22,23)24/h1-5,13-14H,6-7H2,(H,25,29)(H,27,28)/t13-,14?/m0/s1
InChIKeyWXKJWZLZWMEANB-LSLKUGRBSA-N
XLogP3.27
TPSA89.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.76
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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

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Launch Full Analysis

Related Compounds

N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 167173161
(2R)-N-[(S)-(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-methyl-3-oxopiperazine-1-carboxamide
CID 166110948
(5S)-N-[(3-chloro-4-fluorophenyl)-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 166899295
N-[(4-chlorophenyl)-[6-(difluoromethyl)-5-fluoro-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520732
(5S)-N-[(4-chlorophenyl)-[5-(trifluoromethyl)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520644
(5S)-N-[(3-chloro-4-fluorophenyl)-[4-(trifluoromethyl)cyclohexyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520581
(5S)-N-[(R)-(4-chloro-2-methoxyphenyl)-(4-fluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520720
N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 175423866
(5S)-N-[(R)-(4-chloro-3-methylphenyl)-(4-chlorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520683
(5S)-N-[(R)-(4-chlorophenyl)-(6-methoxy-3-pyridinyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520721
(5S)-N-[(4-chlorophenyl)-(2,3-difluorophenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520725
(5S)-N-[(4-chlorophenyl)-(3-propan-2-ylphenyl)methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 166899546

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 162520678) is (5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-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-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-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(OCC(F)(F)F)n2)O1.
What is the InChIKey of (5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is WXKJWZLZWMEANB-LSLKUGRBSA-N. The full InChI is InChI=1S/C18H13ClF5N3O4/c19-9-5-8(1-2-10(9)20)14(27-15(28)13-6-25-17(29)31-13)12-4-3-11(21)16(26-12)30-7-18(22,23)24/h1-5,13-14H,6-7H2,(H,25,29)(H,27,28)/t13-,14?/m0/s1.
What are the key properties of (5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 465.76 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(3-chloro-4-fluorophenyl)-[5-fluoro-6-(2,2,2-trifluoroethoxy)-2-pyridinyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 162520678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).