(5S)-5-ethyl-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-1,3-oxazolidin-2-one

C17H20FNO4 — CID 59994670

IUPAC(5S)-5-ethyl-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-1,3-oxazolidin-2-one
SMILESCC[C@H]1CN(c2ccc([C@@H]3CCC(=O)[C@@H](O)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H20FNO4/c1-2-12-9-19(17(22)23-12)11-4-5-13(14(18)8-11)10-3-6-15(20)16(21)7-10/h4-5,8,10,12,16,21H,2-3,6-7,9H2,1H3/t10-,12+,16+/m1/s1
InChIKeyHFOMBCVLSMRBNW-XAGWURHQSA-N
MW321.35 g/mol
LogP2.76
Rot. Bonds3

About (5S)-5-ethyl-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-1,3-oxazolidin-2-one

(5S)-5-ethyl-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-1,3-oxazolidin-2-one (PubChem CID 59994670) has the molecular formula C17H20FNO4 and a molecular weight of 321.35 g/mol. Its IUPAC name is (5S)-5-ethyl-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5S)-5-ethyl-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-1,3-oxazolidin-2-one
PubChem CID59994670
Molecular FormulaC17H20FNO4
Molecular Weight321.35 g/mol
Exact Mass321.14
IUPAC Name(5S)-5-ethyl-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-1,3-oxazolidin-2-one
SMILESCC[C@H]1CN(c2ccc([C@@H]3CCC(=O)[C@@H](O)C3)c(F)c2)C(=O)O1
InChIInChI=1S/C17H20FNO4/c1-2-12-9-19(17(22)23-12)11-4-5-13(14(18)8-11)10-3-6-15(20)16(21)7-10/h4-5,8,10,12,16,21H,2-3,6-7,9H2,1H3/t10-,12+,16+/m1/s1
InChIKeyHFOMBCVLSMRBNW-XAGWURHQSA-N
XLogP2.76
TPSA66.84 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.35
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (5S)-5-ethyl-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-1,3-oxazolidin-2-one with MolForge

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Related Compounds

N-[[3-[4-(4-methoxy-5-oxocycloheptyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 44332987
(2S)-2-amino-3-[3-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]phenyl]propanoic acid;hydrochloride
CID 168278939
tert-butyl 1-[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]cyclopropane-1-carboxylate
CID 11175563
N-{3-[3-Fluoro-4-(3-fluoro-4-hydroxy-cyclohexyl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-propionamide
CID 11176500
3-[3-Fluoro-4-(4-hydroxy-cyclohexyl)-phenyl]-2-oxo-oxazolidine-5-carboxylic acid amide
CID 11493514
N-[[3-[3-fluoro-4-(3-hydroxy-4-oxocyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11523423
N-{3-[3-Fluoro-4-(4-oxo-cyclohexyl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 11573815
N-[[3-[3-fluoro-4-(3-fluoro-4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11610335
3-[3-Fluoro-4-(4-oxo-cyclohexyl)-phenyl]-2-oxo-oxazolidine-5-carboxylic acid amide
CID 11631127
N-[[3-[3-fluoro-4-(4-hydroxycyclohexyl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]propanamide
CID 11631967
N-{3-[3-Fluoro-4-(4-hydroxy-cyclohexyl)-phenyl]-2-oxo-oxazolidin-5-ylmethyl}-acetamide
CID 11681820
N-[[3-[4-(3,4-dihydroxycyclohexyl)-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 11717580

Frequently Asked Questions

What is the IUPAC name of (5S)-5-ethyl-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5S)-5-ethyl-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-1,3-oxazolidin-2-one (CID 59994670) is (5S)-5-ethyl-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5S)-5-ethyl-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5S)-5-ethyl-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-1,3-oxazolidin-2-one is CC[C@H]1CN(c2ccc([C@@H]3CCC(=O)[C@@H](O)C3)c(F)c2)C(=O)O1.
What is the InChIKey of (5S)-5-ethyl-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is HFOMBCVLSMRBNW-XAGWURHQSA-N. The full InChI is InChI=1S/C17H20FNO4/c1-2-12-9-19(17(22)23-12)11-4-5-13(14(18)8-11)10-3-6-15(20)16(21)7-10/h4-5,8,10,12,16,21H,2-3,6-7,9H2,1H3/t10-,12+,16+/m1/s1.
What are the key properties of (5S)-5-ethyl-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-1,3-oxazolidin-2-one?
(5S)-5-ethyl-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 321.35 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-ethyl-3-[3-fluoro-4-[(1R,3S)-3-hydroxy-4-oxocyclohexyl]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 59994670), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).