(4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one

C23H21NO4 — CID 69124656

IUPAC(4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](CO)[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccccc1
InChIInChI=1S/C23H21NO4/c25-15-21-22(24(23(26)28-21)19-9-5-2-6-10-19)18-11-13-20(14-12-18)27-16-17-7-3-1-4-8-17/h1-14,21-22,25H,15-16H2/t21-,22-/m1/s1
InChIKeyMTGBTKVDVCPAOI-FGZHOGPDSA-N
MW375.42 g/mol
LogP4.32
Rot. Bonds6

About (4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one

(4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 69124656) has the molecular formula C23H21NO4 and a molecular weight of 375.42 g/mol. Its IUPAC name is (4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID69124656
Molecular FormulaC23H21NO4
Molecular Weight375.42 g/mol
Exact Mass375.15
IUPAC Name(4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
SMILESO=C1O[C@H](CO)[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccccc1
InChIInChI=1S/C23H21NO4/c25-15-21-22(24(23(26)28-21)19-9-5-2-6-10-19)18-11-13-20(14-12-18)27-16-17-7-3-1-4-8-17/h1-14,21-22,25H,15-16H2/t21-,22-/m1/s1
InChIKeyMTGBTKVDVCPAOI-FGZHOGPDSA-N
XLogP4.32
TPSA59.00 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.42
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4R,5S)-3-[4-(dimethylamino)phenyl]-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 91012413
(4R,5R)-3-(4-fluorophenyl)-5-[3-(4-fluorophenyl)-3-oxopropyl]-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11555334
ethyl (4S,5R)-3-(4-fluorophenyl)-2-oxo-4-(4-phenylmethoxyphenyl)-1,3-oxazolidine-5-carboxylate
CID 54672052
(4R,5S)-5-(hydroxymethyl)-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 24993379
4-[(4R,5S)-5-(hydroxymethyl)-4-(4-hydroxyphenyl)-2-oxo-1,3-oxazolidin-3-yl]benzonitrile
CID 69124709
(4R)-3,4-bis(4-methoxyphenyl)-5-(3-phenylpropyl)-1,3-oxazolidin-2-one
CID 25064172
(5S)-5-[(4-fluorophenoxy)methyl]-3-(4-fluorophenyl)-4-(4-hydroxyphenyl)-1,3-oxazolidin-2-one
CID 71069170
4-(4-chlorophenyl)-2-phenyl-3-(4-phenylmethoxyphenyl)-1,2,4-oxadiazolidin-5-one
CID 4285693
(5R)-5-(hydroxymethyl)-3-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one
CID 11109337
(4Z)-4-[hydroxy(pyridin-4-yl)methylidene]-1-phenyl-5-(4-phenylmethoxyphenyl)pyrrolidine-2,3-dione
CID 108702857
2-phenyl-1-(4-phenylmethoxyphenyl)-1H-chromeno[2,3-c]pyrrole-3,9-dione
CID 18852380
(3R,4S)-1-(4-fluorophenyl)-3-[(Z)-3-(4-fluorophenyl)-4-hydroxybut-2-enyl]-4-(4-phenylmethoxyphenyl)azetidin-2-one
CID 50923865

Frequently Asked Questions

What is the IUPAC name of (4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one (CID 69124656) is (4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one is O=C1O[C@H](CO)[C@@H](c2ccc(OCc3ccccc3)cc2)N1c1ccccc1.
What is the InChIKey of (4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is MTGBTKVDVCPAOI-FGZHOGPDSA-N. The full InChI is InChI=1S/C23H21NO4/c25-15-21-22(24(23(26)28-21)19-9-5-2-6-10-19)18-11-13-20(14-12-18)27-16-17-7-3-1-4-8-17/h1-14,21-22,25H,15-16H2/t21-,22-/m1/s1.
What are the key properties of (4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one?
(4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 375.42 g/mol, XLogP of 4.32, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5S)-5-(hydroxymethyl)-3-phenyl-4-(4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 69124656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).