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

C15H19FN2O4 — CID 142699895

IUPAC(5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1c1ccc(OC[C@@H]2CCNC2)c(F)c1
InChIInChI=1S/C15H19FN2O4/c16-13-5-11(18-7-12(8-19)22-15(18)20)1-2-14(13)21-9-10-3-4-17-6-10/h1-2,5,10,12,17,19H,3-4,6-9H2/t10-,12-/m1/s1
InChIKeyFIPRJXRTUUGDPI-ZYHUDNBSSA-N
MW310.32 g/mol
LogP1.13
Rot. Bonds5

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

(5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (PubChem CID 142699895) has the molecular formula C15H19FN2O4 and a molecular weight of 310.32 g/mol. Its IUPAC name is (5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
PubChem CID142699895
Molecular FormulaC15H19FN2O4
Molecular Weight310.32 g/mol
Exact Mass310.13
IUPAC Name(5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@@H](CO)CN1c1ccc(OC[C@@H]2CCNC2)c(F)c1
InChIInChI=1S/C15H19FN2O4/c16-13-5-11(18-7-12(8-19)22-15(18)20)1-2-14(13)21-9-10-3-4-17-6-10/h1-2,5,10,12,17,19H,3-4,6-9H2/t10-,12-/m1/s1
InChIKeyFIPRJXRTUUGDPI-ZYHUDNBSSA-N
XLogP1.13
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.32
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one with MolForge

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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)-5-(chloromethyl)-3-[3-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]phenyl]-1,3-oxazolidin-2-one
CID 121356776
(5R)-3-[3-fluoro-4-[(3,5,6-trimethylpyrazin-2-yl)methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 171347706
2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
CID 78008729
1-ethyl-6-fluoro-7-[4-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]piperidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 24858716
1-cyclopropyl-6-fluoro-7-[(3R)-3-[[2-fluoro-4-[(5R)-5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenoxy]methyl]pyrrolidin-1-yl]-4-oxoquinoline-3-carboxylic acid
CID 24858573
(5R)-3-[3-fluoro-4-(4-methylpiperidin-1-yl)phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 10566736
3-(3-fluoro-4-prop-2-enylphenyl)-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 91270425
(3S)-3-[(4-bromo-2-fluorophenoxy)methyl]pyrrolidine
CID 86321601
(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
[2-fluoro-4-[5-(hydroxymethyl)-2-oxo-1,3-oxazolidin-3-yl]phenyl]boronic acid;methane
CID 145042333
3-[4-(2,5-dihydropyrrol-1-yl)-3-fluorophenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one
CID 123927196

Frequently Asked Questions

What is the IUPAC name of (5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The IUPAC name of (5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one (CID 142699895) is (5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is O=C1O[C@@H](CO)CN1c1ccc(OC[C@@H]2CCNC2)c(F)c1.
What is the InChIKey of (5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
The InChIKey is FIPRJXRTUUGDPI-ZYHUDNBSSA-N. The full InChI is InChI=1S/C15H19FN2O4/c16-13-5-11(18-7-12(8-19)22-15(18)20)1-2-14(13)21-9-10-3-4-17-6-10/h1-2,5,10,12,17,19H,3-4,6-9H2/t10-,12-/m1/s1.
What are the key properties of (5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one?
(5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one has a molecular weight of 310.32 g/mol, XLogP of 1.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-3-[3-fluoro-4-[[(3R)-pyrrolidin-3-yl]methoxy]phenyl]-5-(hydroxymethyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 142699895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).