(5S)-N-[(S)-(4-chlorophenyl)-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C17H16ClF3N2O3 — CID 167528055

IUPAC(5S)-N-[(S)-(4-chlorophenyl)-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C23CC(C(F)(F)F)(C2)C3)O1
InChIInChI=1S/C17H16ClF3N2O3/c18-10-3-1-9(2-4-10)12(23-13(24)11-5-22-14(25)26-11)15-6-16(7-15,8-15)17(19,20)21/h1-4,11-12H,5-8H2,(H,22,25)(H,23,24)/t11-,12+,15?,16?/m0/s1
InChIKeyDSQAWPUQJRGCQX-YNQUZJHLSA-N
MW388.77 g/mol
LogP3.34
Rot. Bonds4

About (5S)-N-[(S)-(4-chlorophenyl)-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-N-[(S)-(4-chlorophenyl)-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 167528055) has the molecular formula C17H16ClF3N2O3 and a molecular weight of 388.77 g/mol. Its IUPAC name is (5S)-N-[(S)-(4-chlorophenyl)-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[(S)-(4-chlorophenyl)-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID167528055
Molecular FormulaC17H16ClF3N2O3
Molecular Weight388.77 g/mol
Exact Mass388.08
IUPAC Name(5S)-N-[(S)-(4-chlorophenyl)-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C23CC(C(F)(F)F)(C2)C3)O1
InChIInChI=1S/C17H16ClF3N2O3/c18-10-3-1-9(2-4-10)12(23-13(24)11-5-22-14(25)26-11)15-6-16(7-15,8-15)17(19,20)21/h1-4,11-12H,5-8H2,(H,22,25)(H,23,24)/t11-,12+,15?,16?/m0/s1
InChIKeyDSQAWPUQJRGCQX-YNQUZJHLSA-N
XLogP3.34
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.77
LogP ≤ 53.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (5S)-N-[(S)-(4-chlorophenyl)-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide with MolForge

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Related Compounds

(S)-N-((R)-(3-chloro-4-fluorophenyl)(4-chlorophenyl)methyl)-2-oxooxazolidine-5-carboxamide and (S)-N-((S)-(3-chloro-4-fluorophenyl)(4-chlorophenyl)methyl)-2-oxooxazolidine-5-carboxamide
CID 162520694
(5S)-N-[(4-chlorophenyl)-[4-chloro-3-(trifluoromethyl)phenyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide
CID 162520714
US12516046, Example 10
CID 162520729
(S)-N-((R or S)-(4-chloro-3-(trifluoromethyl) phenyl)(4-chlorophenyl) methyl)-2-oxooxazolidine-5-carboxamide
CID 162520730
(S)-N-((R)-1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl)-2-oxooxazolidine-5-carboxamide and (S)-N-((S)-1-(3-chloro-2,4-difluorophenyl)-3-(4-chlorophenyl)propyl)-2-oxooxazolidine-5-carboxamide
CID 162520636
(S)-N-((R or S)-(4-chlorophenyl)((R or S)-3,3-difluorocyclopentyl) methyl)-2-oxooxazolidine-5-carboxamide
CID 162520676
US12516046, Example 67
CID 162520719
(S)-N-((R or S)-(4-chlorophenyl)(2,3-difluorophenyl) methyl)-2-oxooxazolidine-5-carboxamide
CID 162520725
US12516046, Example 4B
CID 167528048
(S)-N-((R or S)-(3-chloro-4-fluorophenyl)((R or S)-1-(2,2,2-trifluoroethyl) pyrrolidin-3-yl) methyl)-2-oxooxazolidine-5-carboxamide
CID 178289861
US12516046, Example 70
CID 178289876
US12516046, Example 72A
CID 178289878

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[(S)-(4-chlorophenyl)-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[(S)-(4-chlorophenyl)-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 167528055) is (5S)-N-[(S)-(4-chlorophenyl)-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[(S)-(4-chlorophenyl)-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[(S)-(4-chlorophenyl)-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is O=C1NC[C@@H](C(=O)N[C@H](c2ccc(Cl)cc2)C23CC(C(F)(F)F)(C2)C3)O1.
What is the InChIKey of (5S)-N-[(S)-(4-chlorophenyl)-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is DSQAWPUQJRGCQX-YNQUZJHLSA-N. The full InChI is InChI=1S/C17H16ClF3N2O3/c18-10-3-1-9(2-4-10)12(23-13(24)11-5-22-14(25)26-11)15-6-16(7-15,8-15)17(19,20)21/h1-4,11-12H,5-8H2,(H,22,25)(H,23,24)/t11-,12+,15?,16?/m0/s1.
What are the key properties of (5S)-N-[(S)-(4-chlorophenyl)-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[(S)-(4-chlorophenyl)-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 388.77 g/mol, XLogP of 3.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[(S)-(4-chlorophenyl)-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]methyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 167528055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).