(5S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxo-1,3-oxazolidine-5-carboxamide

C18H21ClF2N2O3 — CID 162520719

IUPAC(5S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(CC2CCCCC2)c2ccc(F)c(Cl)c2F)O1
InChIInChI=1S/C18H21ClF2N2O3/c19-15-12(20)7-6-11(16(15)21)13(8-10-4-2-1-3-5-10)23-17(24)14-9-22-18(25)26-14/h6-7,10,13-14H,1-5,8-9H2,(H,22,25)(H,23,24)/t13?,14-/m0/s1
InChIKeyFRKXMUKKZIEGPX-KZUDCZAMSA-N
MW386.83 g/mol
LogP3.85
Rot. Bonds5

About (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxo-1,3-oxazolidine-5-carboxamide

(5S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxo-1,3-oxazolidine-5-carboxamide (PubChem CID 162520719) has the molecular formula C18H21ClF2N2O3 and a molecular weight of 386.83 g/mol. Its IUPAC name is (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxo-1,3-oxazolidine-5-carboxamide.

Molecular Properties

Compound Name(5S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxo-1,3-oxazolidine-5-carboxamide
PubChem CID162520719
Molecular FormulaC18H21ClF2N2O3
Molecular Weight386.83 g/mol
Exact Mass386.12
IUPAC Name(5S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxo-1,3-oxazolidine-5-carboxamide
SMILESO=C1NC[C@@H](C(=O)NC(CC2CCCCC2)c2ccc(F)c(Cl)c2F)O1
InChIInChI=1S/C18H21ClF2N2O3/c19-15-12(20)7-6-11(16(15)21)13(8-10-4-2-1-3-5-10)23-17(24)14-9-22-18(25)26-14/h6-7,10,13-14H,1-5,8-9H2,(H,22,25)(H,23,24)/t13?,14-/m0/s1
InChIKeyFRKXMUKKZIEGPX-KZUDCZAMSA-N
XLogP3.85
TPSA67.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.83
LogP ≤ 53.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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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 69
CID 162520704
(S)-N-((R or S)-(4-chlorophenyl)(2,3-difluorophenyl) methyl)-2-oxooxazolidine-5-carboxamide
CID 162520725
US12516046, Example 4B
CID 167528048
US12516046, Example 4A
CID 167528055
(S)-N-((R or S)-(3-chloro-2,4-difluorophenyl) ((trans)-6,6-difluorobicyclo[3.1.0] hexan-3-yl)methyl)-2-oxooxazolidine-5-carboxamide
CID 170218321
(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

Frequently Asked Questions

What is the IUPAC name of (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The IUPAC name of (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxo-1,3-oxazolidine-5-carboxamide (CID 162520719) is (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxo-1,3-oxazolidine-5-carboxamide.
What is the SMILES notation for (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The canonical SMILES for (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxo-1,3-oxazolidine-5-carboxamide is O=C1NC[C@@H](C(=O)NC(CC2CCCCC2)c2ccc(F)c(Cl)c2F)O1.
What is the InChIKey of (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
The InChIKey is FRKXMUKKZIEGPX-KZUDCZAMSA-N. The full InChI is InChI=1S/C18H21ClF2N2O3/c19-15-12(20)7-6-11(16(15)21)13(8-10-4-2-1-3-5-10)23-17(24)14-9-22-18(25)26-14/h6-7,10,13-14H,1-5,8-9H2,(H,22,25)(H,23,24)/t13?,14-/m0/s1.
What are the key properties of (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxo-1,3-oxazolidine-5-carboxamide?
(5S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxo-1,3-oxazolidine-5-carboxamide has a molecular weight of 386.83 g/mol, XLogP of 3.85, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-N-[1-(3-chloro-2,4-difluorophenyl)-2-cyclohexylethyl]-2-oxo-1,3-oxazolidine-5-carboxamide is sourced from PubChem (CID 162520719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).