(5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one

C16H20ClFN2O4 — CID 121356776

IUPAC(5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CCl)CN1c1ccc(OCC2(O)CCNCC2)c(F)c1
InChIInChI=1S/C16H20ClFN2O4/c17-8-12-9-20(15(21)24-12)11-1-2-14(13(18)7-11)23-10-16(22)3-5-19-6-4-16/h1-2,7,12,19,22H,3-6,8-10H2/t12-/m0/s1
InChIKeyJZZYSSUREMYDIE-LBPRGKRZSA-N
MW358.80 g/mol
LogP1.88
Rot. Bonds5

About (5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one

(5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one (PubChem CID 121356776) has the molecular formula C16H20ClFN2O4 and a molecular weight of 358.80 g/mol. Its IUPAC name is (5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one
PubChem CID121356776
Molecular FormulaC16H20ClFN2O4
Molecular Weight358.80 g/mol
Exact Mass358.11
IUPAC Name(5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CCl)CN1c1ccc(OCC2(O)CCNCC2)c(F)c1
InChIInChI=1S/C16H20ClFN2O4/c17-8-12-9-20(15(21)24-12)11-1-2-14(13(18)7-11)23-10-16(22)3-5-19-6-4-16/h1-2,7,12,19,22H,3-6,8-10H2/t12-/m0/s1
InChIKeyJZZYSSUREMYDIE-LBPRGKRZSA-N
XLogP1.88
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.80
LogP ≤ 51.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 66776176
(5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 142699895
4-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-4-hydroxyazepane-1-carboxylic acid
CID 142755752
(5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 171347706
N-[[3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58003518
N-[[(5S)-3-[4-[2-[(3S,4S)-3,4-dihydroxypiperidin-4-yl]ethoxy]-3-fluorophenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-[(3S,4S)-4-methoxypyrrolidin-3-yl]oxyphenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide;N-[[(5S)-3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 160589278
5-(chloromethyl)-3-(3-fluoro-4-hydroxyphenyl)-1,3-oxazolidin-2-one;ethyl acetate
CID 121351579
(13S,15S)-9-fluoro-13-[[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-13-hydroxy-6-oxo-17-oxa-3,11-diazatetracyclo[8.7.0.02,7.011,15]heptadeca-1,4,7,9-tetraene-5-carboxylic acid
CID 66733561
(5S)-5-(chloromethyl)-3-(3,4-dichlorophenyl)-1,3-oxazolidin-2-one
CID 51893633
(7R)-12-cyclopropyl-18-fluoro-5-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-5-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid
CID 66733698
(5R,7R)-12-cyclopropyl-18-fluoro-5-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-5-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid
CID 66733622
(5R,7S)-12-cyclopropyl-18-fluoro-5-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]-5-hydroxy-15-oxo-9-oxa-2,12-diazatetracyclo[8.8.0.02,7.011,16]octadeca-1(18),10,13,16-tetraene-14-carboxylic acid
CID 67441134

Frequently Asked Questions

What is the IUPAC name of (5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one (CID 121356776) is (5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one is O=C1O[C@@H](CCl)CN1c1ccc(OCC2(O)CCNCC2)c(F)c1.
What is the InChIKey of (5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one?
The InChIKey is JZZYSSUREMYDIE-LBPRGKRZSA-N. The full InChI is InChI=1S/C16H20ClFN2O4/c17-8-12-9-20(15(21)24-12)11-1-2-14(13(18)7-11)23-10-16(22)3-5-19-6-4-16/h1-2,7,12,19,22H,3-6,8-10H2/t12-/m0/s1.
What are the key properties of (5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one?
(5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one has a molecular weight of 358.80 g/mol, XLogP of 1.88, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 121356776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).