4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one

C15H17FN2O4 — CID 118177592

IUPAC4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one
SMILESCC[C@H]1CN(c2ccc(N3CCOCC3=O)c(F)c2)C(=O)O1
InChIInChI=1S/C15H17FN2O4/c1-2-11-8-18(15(20)22-11)10-3-4-13(12(16)7-10)17-5-6-21-9-14(17)19/h3-4,7,11H,2,5-6,8-9H2,1H3/t11-/m0/s1
InChIKeyQRESJHHMCLMZSB-NSHDSACASA-N
MW308.31 g/mol
LogP1.92
Rot. Bonds3

About 4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one

4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one (PubChem CID 118177592) has the molecular formula C15H17FN2O4 and a molecular weight of 308.31 g/mol. Its IUPAC name is 4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one.

Molecular Properties

Compound Name4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one
PubChem CID118177592
Molecular FormulaC15H17FN2O4
Molecular Weight308.31 g/mol
Exact Mass308.12
IUPAC Name4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one
SMILESCC[C@H]1CN(c2ccc(N3CCOCC3=O)c(F)c2)C(=O)O1
InChIInChI=1S/C15H17FN2O4/c1-2-11-8-18(15(20)22-11)10-3-4-13(12(16)7-10)17-5-6-21-9-14(17)19/h3-4,7,11H,2,5-6,8-9H2,1H3/t11-/m0/s1
InChIKeyQRESJHHMCLMZSB-NSHDSACASA-N
XLogP1.92
TPSA59.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.31
LogP ≤ 51.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one with MolForge

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Launch Full Analysis

Related Compounds

2-[[(5S)-3-[2-fluoro-4-(3-oxomorpholin-4-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]isoindole-1,3-dione
CID 59410776
(5S)-5-ethyl-3-[3-fluoro-4-(4-isocyanopiperazin-1-yl)phenyl]-1,3-oxazolidin-2-one
CID 91016605
ethane;5-ethyl-3-[3-fluoro-4-(2,2,6,6-tetrahydroxymorpholin-4-yl)phenyl]-1,3-oxazolidin-2-one
CID 143914751
5-ethyl-3-(4-morpholin-4-yl-3-phosphanylphenyl)-1,3-oxazolidin-2-one
CID 144591667
3-(3-fluoro-4-morpholin-4-ylphenyl)-5-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 91473746
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 12040041
N-[[3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-N-methylacetamide
CID 118689021
4-[4-[5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 72946753
4-[4-[(5R)-5-(bromomethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]morpholin-3-one
CID 89158708
4-(2-fluoro-4-methylphenyl)morpholin-3-one
CID 58845389
N-[[(5S)-3-(3-fluoro-4-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-5-yl]methyl]-2,2-dimethylpropanamide
CID 10156575
N-[[(5S)-3-[3-fluoro-4-(2-sulfanylidene-1,3-oxazolidin-3-yl)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]ethanethioamide
CID 58619730

Frequently Asked Questions

What is the IUPAC name of 4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one?
The IUPAC name of 4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one (CID 118177592) is 4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one.
What is the SMILES notation for 4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one?
The canonical SMILES for 4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one is CC[C@H]1CN(c2ccc(N3CCOCC3=O)c(F)c2)C(=O)O1.
What is the InChIKey of 4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one?
The InChIKey is QRESJHHMCLMZSB-NSHDSACASA-N. The full InChI is InChI=1S/C15H17FN2O4/c1-2-11-8-18(15(20)22-11)10-3-4-13(12(16)7-10)17-5-6-21-9-14(17)19/h3-4,7,11H,2,5-6,8-9H2,1H3/t11-/m0/s1.
What are the key properties of 4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one?
4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one has a molecular weight of 308.31 g/mol, XLogP of 1.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[(5S)-5-ethyl-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenyl]morpholin-3-one is sourced from PubChem (CID 118177592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).