(4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one

C19H27NO6 — CID 11303051

IUPAC(4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)O[C@@H]1C[C@H](N2C(=O)OC[C@H]2c2ccccc2)O[C@H](CO)[C@H]1O
InChIInChI=1S/C19H27NO6/c1-19(2,3)26-14-9-16(25-15(10-21)17(14)22)20-13(11-24-18(20)23)12-7-5-4-6-8-12/h4-8,13-17,21-22H,9-11H2,1-3H3/t13-,14+,15+,16+,17-/m0/s1
InChIKeyWEWPPGAFDCWAOZ-UTSKFRMZSA-N
MW365.43 g/mol
LogP1.83
Rot. Bonds4

About (4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one

(4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 11303051) has the molecular formula C19H27NO6 and a molecular weight of 365.43 g/mol. Its IUPAC name is (4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
PubChem CID11303051
Molecular FormulaC19H27NO6
Molecular Weight365.43 g/mol
Exact Mass365.18
IUPAC Name(4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
SMILESCC(C)(C)O[C@@H]1C[C@H](N2C(=O)OC[C@H]2c2ccccc2)O[C@H](CO)[C@H]1O
InChIInChI=1S/C19H27NO6/c1-19(2,3)26-14-9-16(25-15(10-21)17(14)22)20-13(11-24-18(20)23)12-7-5-4-6-8-12/h4-8,13-17,21-22H,9-11H2,1-3H3/t13-,14+,15+,16+,17-/m0/s1
InChIKeyWEWPPGAFDCWAOZ-UTSKFRMZSA-N
XLogP1.83
TPSA88.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.43
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one with MolForge

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Related Compounds

(4S)-3-[(2S,4S,5R,6S)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-(2-methylpropyl)-1,3-oxazolidin-2-one
CID 11290918
(2R,3S,4R,6S)-2-(hydroxymethyl)-6-methyl-4-[(2-methylpropan-2-yl)oxy]oxan-3-ol
CID 11160276
(4R)-3-(3,3-dimethylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 118888246
(4R)-3-[(2S,4S)-5-oxo-4-phenylmethoxyoxolan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 11462329
tert-butyl (1R,2R,3S)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-3-pentylcyclopropane-1-carboxylate
CID 139038611
(4S)-3-[4-(aminomethyl)cyclohexyl]-4-phenyl-1,3-oxazolidin-2-one
CID 143706107
tert-butyl (2S)-2-methyl-2-[(3S,4R)-2-oxo-3-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-4-phenylazetidin-1-yl]pent-4-enoate
CID 134870532
(4S)-3-[(2S,3S)-1-benzyl-2-(hydroxymethyl)-2-methyl-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 10761399
(2R,5R,6S)-5-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenyl-6-propyl-1,3-oxazinan-4-one
CID 101130998
3-[(2S)-6-(4-fluorophenyl)oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 66933021
(4S)-3-[(2R,3S)-1-methyl-2-(2-methylpropyl)-4-oxoazetidin-3-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 23251083
tert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate
CID 68742224

Frequently Asked Questions

What is the IUPAC name of (4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one (CID 11303051) is (4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one is CC(C)(C)O[C@@H]1C[C@H](N2C(=O)OC[C@H]2c2ccccc2)O[C@H](CO)[C@H]1O.
What is the InChIKey of (4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is WEWPPGAFDCWAOZ-UTSKFRMZSA-N. The full InChI is InChI=1S/C19H27NO6/c1-19(2,3)26-14-9-16(25-15(10-21)17(14)22)20-13(11-24-18(20)23)12-7-5-4-6-8-12/h4-8,13-17,21-22H,9-11H2,1-3H3/t13-,14+,15+,16+,17-/m0/s1.
What are the key properties of (4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one?
(4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 365.43 g/mol, XLogP of 1.83, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-3-[(2R,4R,5S,6R)-5-hydroxy-6-(hydroxymethyl)-4-[(2-methylpropan-2-yl)oxy]oxan-2-yl]-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11303051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).