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

C15H19FN2O5 — CID 66776176

IUPAC(5R)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1c1ccc(OCC2(O)CCNC2)c(F)c1
InChIInChI=1S/C15H19FN2O5/c16-12-5-10(18-6-11(7-19)23-14(18)20)1-2-13(12)22-9-15(21)3-4-17-8-15/h1-2,5,11,17,19,21H,3-4,6-9H2/t11-,15?/m1/s1
InChIKeyAPNYUKZXZZKODE-ZRKZCGFPSA-N
MW326.32 g/mol
LogP0.25
Rot. Bonds5

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

(5R)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 66776176) has the molecular formula C15H19FN2O5 and a molecular weight of 326.32 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID66776176
Molecular FormulaC15H19FN2O5
Molecular Weight326.32 g/mol
Exact Mass326.13
IUPAC Name(5R)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1c1ccc(OCC2(O)CCNC2)c(F)c1
InChIInChI=1S/C15H19FN2O5/c16-12-5-10(18-6-11(7-19)23-14(18)20)1-2-13(12)22-9-15(21)3-4-17-8-15/h1-2,5,11,17,19,21H,3-4,6-9H2/t11-,15?/m1/s1
InChIKeyAPNYUKZXZZKODE-ZRKZCGFPSA-N
XLogP0.25
TPSA91.26 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.32
LogP ≤ 50.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

(5R)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one
CID 121356776
(5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 142699895
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
(5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 171347706
4-[[4-[(5S)-5-(acetamidomethyl)-2-oxo-1,3-oxazolidin-3-yl]-2-fluorophenoxy]methyl]-4-hydroxyazepane-1-carboxylic acid
CID 142755752
N-[[3-[3-fluoro-4-(2-piperazin-1-ylethoxy)phenyl]-2-oxo-1,3-oxazolidin-5-yl]methyl]acetamide
CID 58003518
(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
(5R)-3-[3-fluoro-4-(4-methylpiperazin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one;(5R)-3-(3-fluoro-4-piperazin-1-ylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 162135714
3-[4-(2,5-dihydropyrrol-1-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 123927196
2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
CID 78008729
[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]boronic acid;methane
CID 145042333
(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

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 66776176) is (5R)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](CO)CN1c1ccc(OCC2(O)CCNC2)c(F)c1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is APNYUKZXZZKODE-ZRKZCGFPSA-N. The full InChI is InChI=1S/C15H19FN2O5/c16-12-5-10(18-6-11(7-19)23-14(18)20)1-2-13(12)22-9-15(21)3-4-17-8-15/h1-2,5,11,17,19,21H,3-4,6-9H2/t11-,15?/m1/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 326.32 g/mol, XLogP of 0.25, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[(3-hydroxypyrrolidin-3-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 66776176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).