(4S,5R)-3-(diethoxymethyl)-4,5-diphenyl-1,3-oxazolidin-2-one

C20H23NO4 — CID 11660150

IUPAC(4S,5R)-3-(diethoxymethyl)-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCCOC(OCC)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H23NO4/c1-3-23-20(24-4-2)21-17(15-11-7-5-8-12-15)18(25-19(21)22)16-13-9-6-10-14-16/h5-14,17-18,20H,3-4H2,1-2H3/t17-,18+/m0/s1
InChIKeyYOZYHYGSDPIKCN-ZWKOTPCHSA-N
MW341.41 g/mol
LogP4.28
Rot. Bonds7

About (4S,5R)-3-(diethoxymethyl)-4,5-diphenyl-1,3-oxazolidin-2-one

(4S,5R)-3-(diethoxymethyl)-4,5-diphenyl-1,3-oxazolidin-2-one (PubChem CID 11660150) has the molecular formula C20H23NO4 and a molecular weight of 341.41 g/mol. Its IUPAC name is (4S,5R)-3-(diethoxymethyl)-4,5-diphenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S,5R)-3-(diethoxymethyl)-4,5-diphenyl-1,3-oxazolidin-2-one
PubChem CID11660150
Molecular FormulaC20H23NO4
Molecular Weight341.41 g/mol
Exact Mass341.16
IUPAC Name(4S,5R)-3-(diethoxymethyl)-4,5-diphenyl-1,3-oxazolidin-2-one
SMILESCCOC(OCC)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C20H23NO4/c1-3-23-20(24-4-2)21-17(15-11-7-5-8-12-15)18(25-19(21)22)16-13-9-6-10-14-16/h5-14,17-18,20H,3-4H2,1-2H3/t17-,18+/m0/s1
InChIKeyYOZYHYGSDPIKCN-ZWKOTPCHSA-N
XLogP4.28
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.41
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (4S,5R)-3-(diethoxymethyl)-4,5-diphenyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

CID 237192
CID 237192
CID 161171
CID 161171
CID 981225
CID 981225
CID 981230
CID 981230
CID 4533742
CID 4533742
CID 9859564
CID 9859564
CID 10566995
CID 10566995
CID 10868374
CID 10868374
CID 134136675
CID 134136675
CID 134150074
CID 134150074
CID 134157470
CID 134157470
CID 434347
CID 434347

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-3-(diethoxymethyl)-4,5-diphenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S,5R)-3-(diethoxymethyl)-4,5-diphenyl-1,3-oxazolidin-2-one (CID 11660150) is (4S,5R)-3-(diethoxymethyl)-4,5-diphenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S,5R)-3-(diethoxymethyl)-4,5-diphenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S,5R)-3-(diethoxymethyl)-4,5-diphenyl-1,3-oxazolidin-2-one is CCOC(OCC)N1C(=O)O[C@H](c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of (4S,5R)-3-(diethoxymethyl)-4,5-diphenyl-1,3-oxazolidin-2-one?
The InChIKey is YOZYHYGSDPIKCN-ZWKOTPCHSA-N. The full InChI is InChI=1S/C20H23NO4/c1-3-23-20(24-4-2)21-17(15-11-7-5-8-12-15)18(25-19(21)22)16-13-9-6-10-14-16/h5-14,17-18,20H,3-4H2,1-2H3/t17-,18+/m0/s1.
What are the key properties of (4S,5R)-3-(diethoxymethyl)-4,5-diphenyl-1,3-oxazolidin-2-one?
(4S,5R)-3-(diethoxymethyl)-4,5-diphenyl-1,3-oxazolidin-2-one has a molecular weight of 341.41 g/mol, XLogP of 4.28, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-3-(diethoxymethyl)-4,5-diphenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 11660150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).