(4S,5S)-4-hydroxy-3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one

C20H23NO6 — CID 7323069

IUPAC(4S,5S)-4-hydroxy-3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOCCN1C(=O)O[C@@H](c2ccc(OC)cc2)[C@@]1(O)c1ccc(OC)cc1
InChIInChI=1S/C20H23NO6/c1-24-13-12-21-19(22)27-18(14-4-8-16(25-2)9-5-14)20(21,23)15-6-10-17(26-3)11-7-15/h4-11,18,23H,12-13H2,1-3H3/t18-,20-/m0/s1
InChIKeyPQSKPSYLEOYJID-ICSRJNTNSA-N
MW373.41 g/mol
LogP2.69
Rot. Bonds7

About (4S,5S)-4-hydroxy-3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one

(4S,5S)-4-hydroxy-3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one (PubChem CID 7323069) has the molecular formula C20H23NO6 and a molecular weight of 373.41 g/mol. Its IUPAC name is (4S,5S)-4-hydroxy-3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5S)-4-hydroxy-3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one
PubChem CID7323069
Molecular FormulaC20H23NO6
Molecular Weight373.41 g/mol
Exact Mass373.15
IUPAC Name(4S,5S)-4-hydroxy-3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one
SMILESCOCCN1C(=O)O[C@@H](c2ccc(OC)cc2)[C@@]1(O)c1ccc(OC)cc1
InChIInChI=1S/C20H23NO6/c1-24-13-12-21-19(22)27-18(14-4-8-16(25-2)9-5-14)20(21,23)15-6-10-17(26-3)11-7-15/h4-11,18,23H,12-13H2,1-3H3/t18-,20-/m0/s1
InChIKeyPQSKPSYLEOYJID-ICSRJNTNSA-N
XLogP2.69
TPSA77.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.41
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (4S,5S)-4-hydroxy-3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5S)-4-hydroxy-3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one (CID 7323069) is (4S,5S)-4-hydroxy-3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5S)-4-hydroxy-3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5S)-4-hydroxy-3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one is COCCN1C(=O)O[C@@H](c2ccc(OC)cc2)[C@@]1(O)c1ccc(OC)cc1.
What is the InChIKey of (4S,5S)-4-hydroxy-3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one?
The InChIKey is PQSKPSYLEOYJID-ICSRJNTNSA-N. The full InChI is InChI=1S/C20H23NO6/c1-24-13-12-21-19(22)27-18(14-4-8-16(25-2)9-5-14)20(21,23)15-6-10-17(26-3)11-7-15/h4-11,18,23H,12-13H2,1-3H3/t18-,20-/m0/s1.
What are the key properties of (4S,5S)-4-hydroxy-3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one?
(4S,5S)-4-hydroxy-3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one has a molecular weight of 373.41 g/mol, XLogP of 2.69, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-4-hydroxy-3-(2-methoxyethyl)-4,5-bis(4-methoxyphenyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 7323069), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).