(4R,5R)-4-hydroxy-3-[[(2S)-oxolan-2-yl]methyl]-4,5-diphenyl-1,3-oxazolidin-2-one

C20H21NO4 — CID 6558529

IUPAC(4R,5R)-4-hydroxy-3-[[(2S)-oxolan-2-yl]methyl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](c2ccccc2)[C@](O)(c2ccccc2)N1C[C@@H]1CCCO1
InChIInChI=1S/C20H21NO4/c22-19-21(14-17-12-7-13-24-17)20(23,16-10-5-2-6-11-16)18(25-19)15-8-3-1-4-9-15/h1-6,8-11,17-18,23H,7,12-14H2/t17-,18+,20+/m0/s1
InChIKeyFXSNUADDLFFSBE-NLWGTHIKSA-N
MW339.39 g/mol
LogP3.20
Rot. Bonds4

About (4R,5R)-4-hydroxy-3-[[(2S)-oxolan-2-yl]methyl]-4,5-diphenyl-1,3-oxazolidin-2-one

(4R,5R)-4-hydroxy-3-[[(2S)-oxolan-2-yl]methyl]-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 6558529) has the molecular formula C20H21NO4 and a molecular weight of 339.39 g/mol. Its IUPAC name is (4R,5R)-4-hydroxy-3-[[(2S)-oxolan-2-yl]methyl]-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-4-hydroxy-3-[[(2S)-oxolan-2-yl]methyl]-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID6558529
Molecular FormulaC20H21NO4
Molecular Weight339.39 g/mol
Exact Mass339.15
IUPAC Name(4R,5R)-4-hydroxy-3-[[(2S)-oxolan-2-yl]methyl]-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](c2ccccc2)[C@](O)(c2ccccc2)N1C[C@@H]1CCCO1
InChIInChI=1S/C20H21NO4/c22-19-21(14-17-12-7-13-24-17)20(23,16-10-5-2-6-11-16)18(25-19)15-8-3-1-4-9-15/h1-6,8-11,17-18,23H,7,12-14H2/t17-,18+,20+/m0/s1
InChIKeyFXSNUADDLFFSBE-NLWGTHIKSA-N
XLogP3.20
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.39
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-4-hydroxy-3-[[(2S)-oxolan-2-yl]methyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5R)-4-hydroxy-3-[[(2S)-oxolan-2-yl]methyl]-4,5-diphenyl-1,3-oxazolidin-2-one (CID 6558529) is (4R,5R)-4-hydroxy-3-[[(2S)-oxolan-2-yl]methyl]-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5R)-4-hydroxy-3-[[(2S)-oxolan-2-yl]methyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5R)-4-hydroxy-3-[[(2S)-oxolan-2-yl]methyl]-4,5-diphenyl-1,3-oxazolidin-2-one is O=C1O[C@H](c2ccccc2)[C@](O)(c2ccccc2)N1C[C@@H]1CCCO1.
What is the InChIKey of (4R,5R)-4-hydroxy-3-[[(2S)-oxolan-2-yl]methyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is FXSNUADDLFFSBE-NLWGTHIKSA-N. The full InChI is InChI=1S/C20H21NO4/c22-19-21(14-17-12-7-13-24-17)20(23,16-10-5-2-6-11-16)18(25-19)15-8-3-1-4-9-15/h1-6,8-11,17-18,23H,7,12-14H2/t17-,18+,20+/m0/s1.
What are the key properties of (4R,5R)-4-hydroxy-3-[[(2S)-oxolan-2-yl]methyl]-4,5-diphenyl-1,3-oxazolidin-2-one?
(4R,5R)-4-hydroxy-3-[[(2S)-oxolan-2-yl]methyl]-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 339.39 g/mol, XLogP of 3.20, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-hydroxy-3-[[(2S)-oxolan-2-yl]methyl]-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 6558529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).