N-[[(5S)-3-[2,5-difluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

C18H21F3N2O4 — CID 71030002

IUPACN-[[(5S)-3-[2,5-difluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(C3CCC(O)C(F)C3)cc2F)C(=O)O1
InChIInChI=1S/C18H21F3N2O4/c1-9(24)22-7-11-8-23(18(26)27-11)16-6-13(19)12(5-14(16)20)10-2-3-17(25)15(21)4-10/h5-6,10-11,15,17,25H,2-4,7-8H2,1H3,(H,22,24)/t10?,11-,15?,17?/m0/s1
InChIKeyRBUMYJUSIWLNJK-RLSCEUPUSA-N
MW386.37 g/mol
LogP2.39
Rot. Bonds4

About N-[[(5S)-3-[2,5-difluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide

N-[[(5S)-3-[2,5-difluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (PubChem CID 71030002) has the molecular formula C18H21F3N2O4 and a molecular weight of 386.37 g/mol. Its IUPAC name is N-[[(5S)-3-[2,5-difluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[(5S)-3-[2,5-difluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
PubChem CID71030002
Molecular FormulaC18H21F3N2O4
Molecular Weight386.37 g/mol
Exact Mass386.15
IUPAC NameN-[[(5S)-3-[2,5-difluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
SMILESCC(=O)NC[C@H]1CN(c2cc(F)c(C3CCC(O)C(F)C3)cc2F)C(=O)O1
InChIInChI=1S/C18H21F3N2O4/c1-9(24)22-7-11-8-23(18(26)27-11)16-6-13(19)12(5-14(16)20)10-2-3-17(25)15(21)4-10/h5-6,10-11,15,17,25H,2-4,7-8H2,1H3,(H,22,24)/t10?,11-,15?,17?/m0/s1
InChIKeyRBUMYJUSIWLNJK-RLSCEUPUSA-N
XLogP2.39
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.37
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[[3-[4-[(1S)-3,4-dihydroxycyclohexyl]-2,3,5-trifluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 143760557
N-[[3-[3-fluoro-4-(oxan-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 22625716
N-[[(5S)-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994588
N-[[(5S)-3-[4-[(3S,4R)-3,4-dihydroxypiperidin-1-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 59994592
N-[[(5S)-3-[4-(3,4-dihydroxypyrrolidin-1-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 86725189
N-[[(5S)-3-[3-fluoro-4-[(1R)-4-hydroxy-3-oxocyclohexyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 91299786
N-[[(5S)-3-[3-fluoro-4-[(2S)-3-fluoro-2-methylazetidin-1-yl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 70193904
N-[[(5S)-3-[4-(2,2-dimethyl-3a,4,5,6,7,7a-hexahydro-1,3-benzodioxol-5-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 163896499
N-[[(5S)-3-[2,5-difluoro-4-(4-oxo-2,3-dihydropyridin-1-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 25184391
N-[[3-[4-(1,1-dioxothian-4-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 18613632
N-[[(5S)-3-[4-(3-azabicyclo[3.1.0]hexan-3-yl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11290525
N-[[3-[4-[(5R)-3-azabicyclo[3.1.0]hexan-3-yl]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 142224217

Frequently Asked Questions

What is the IUPAC name of N-[[(5S)-3-[2,5-difluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The IUPAC name of N-[[(5S)-3-[2,5-difluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide (CID 71030002) is N-[[(5S)-3-[2,5-difluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide.
What is the SMILES notation for N-[[(5S)-3-[2,5-difluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The canonical SMILES for N-[[(5S)-3-[2,5-difluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is CC(=O)NC[C@H]1CN(c2cc(F)c(C3CCC(O)C(F)C3)cc2F)C(=O)O1.
What is the InChIKey of N-[[(5S)-3-[2,5-difluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
The InChIKey is RBUMYJUSIWLNJK-RLSCEUPUSA-N. The full InChI is InChI=1S/C18H21F3N2O4/c1-9(24)22-7-11-8-23(18(26)27-11)16-6-13(19)12(5-14(16)20)10-2-3-17(25)15(21)4-10/h5-6,10-11,15,17,25H,2-4,7-8H2,1H3,(H,22,24)/t10?,11-,15?,17?/m0/s1.
What are the key properties of N-[[(5S)-3-[2,5-difluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide?
N-[[(5S)-3-[2,5-difluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide has a molecular weight of 386.37 g/mol, XLogP of 2.39, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(5S)-3-[2,5-difluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide is sourced from PubChem (CID 71030002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).