(5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-1,3-oxazolidin-3-ium-2-one bromide

C14H18BrFN2O3 — CID 90729550

IUPAC(5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-1,3-oxazolidin-3-ium-2-one bromide
SMILESC[C@H]1OC(=O)[NH+](F)C1c1ccccc1N1CCOCC1.[Br-]
InChIInChI=1S/C14H17FN2O3.BrH/c1-10-13(17(15)14(18)20-10)11-4-2-3-5-12(11)16-6-8-19-9-7-16;/h2-5,10,13H,6-9H2,1H3;1H/t10-,13?;/m1./s1
InChIKeyOHPIISOWJAHOTE-HXOUFFEYSA-N
MW361.21 g/mol
LogP-2.12
Rot. Bonds2

About (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-1,3-oxazolidin-3-ium-2-one bromide

(5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-1,3-oxazolidin-3-ium-2-one bromide (PubChem CID 90729550) has the molecular formula C14H18BrFN2O3 and a molecular weight of 361.21 g/mol. Its IUPAC name is (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-1,3-oxazolidin-3-ium-2-one bromide.

Molecular Properties

Compound Name(5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-1,3-oxazolidin-3-ium-2-one bromide
PubChem CID90729550
Molecular FormulaC14H18BrFN2O3
Molecular Weight361.21 g/mol
Exact Mass360.05
IUPAC Name(5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-1,3-oxazolidin-3-ium-2-one bromide
SMILESC[C@H]1OC(=O)[NH+](F)C1c1ccccc1N1CCOCC1.[Br-]
InChIInChI=1S/C14H17FN2O3.BrH/c1-10-13(17(15)14(18)20-10)11-4-2-3-5-12(11)16-6-8-19-9-7-16;/h2-5,10,13H,6-9H2,1H3;1H/t10-,13?;/m1./s1
InChIKeyOHPIISOWJAHOTE-HXOUFFEYSA-N
XLogP-2.12
TPSA43.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.21
LogP ≤ 5-2.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-2-oxo-1,3-oxazolidin-3-ium-3-sulfonic acid
CID 90913539
4-(1-methyl-1,2,3,4-tetrahydroisoquinolin-5-yl)morpholine
CID 66875825
16-(2-methoxyphenyl)-1,4,7,10,13-pentaoxa-16-azacyclooctadecane
CID 86134682
4-[2-[(2R)-pyrrolidin-2-yl]phenyl]morpholine
CID 96807241
3-morpholin-4-ylpyran-2-one
CID 159182014
2-morpholin-4-ylbenzonitrile
CID 2737012
2-bromo-7-(1,4,7,10-tetraoxa-13-azacyclopentadec-13-yl)cyclohepta-2,4,6-trien-1-one
CID 15763135
4-(2-methylsulfinylphenyl)morpholine
CID 173235421
2-(2-morpholin-4-ylphenyl)isoindole-1,3-dione
CID 2813240
1,3-dimethyl-5-(2-morpholin-4-ylbenzoyl)-4,5-dihydro-3H-1-benzazepin-2-one
CID 175807938
N-(2-morpholin-4-ylphenyl)-2-(3-oxo-1H-2-benzofuran-1-yl)acetamide
CID 2999418
(2S)-1-(morpholine-4-carbonyl)-2,3-dihydroindole-2-carboxylic acid
CID 61187329

Frequently Asked Questions

What is the IUPAC name of (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-1,3-oxazolidin-3-ium-2-one bromide?
The IUPAC name of (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-1,3-oxazolidin-3-ium-2-one bromide (CID 90729550) is (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-1,3-oxazolidin-3-ium-2-one bromide.
What is the SMILES notation for (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-1,3-oxazolidin-3-ium-2-one bromide?
The canonical SMILES for (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-1,3-oxazolidin-3-ium-2-one bromide is C[C@H]1OC(=O)[NH+](F)C1c1ccccc1N1CCOCC1.[Br-].
What is the InChIKey of (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-1,3-oxazolidin-3-ium-2-one bromide?
The InChIKey is OHPIISOWJAHOTE-HXOUFFEYSA-N. The full InChI is InChI=1S/C14H17FN2O3.BrH/c1-10-13(17(15)14(18)20-10)11-4-2-3-5-12(11)16-6-8-19-9-7-16;/h2-5,10,13H,6-9H2,1H3;1H/t10-,13?;/m1./s1.
What are the key properties of (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-1,3-oxazolidin-3-ium-2-one bromide?
(5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-1,3-oxazolidin-3-ium-2-one bromide has a molecular weight of 361.21 g/mol, XLogP of -2.12, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-fluoro-5-methyl-4-(2-morpholin-4-ylphenyl)-1,3-oxazolidin-3-ium-2-one bromide is sourced from PubChem (CID 90729550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).