ethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate

C18H19NO3 — CID 102320644

IUPACethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate
SMILESCCOC(=O)[C@@H]1OCN(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H19NO3/c1-2-21-18(20)17-16(14-9-5-3-6-10-14)19(13-22-17)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3/t16-,17-/m1/s1
InChIKeyZAUFOHMLGWSXTL-IAGOWNOFSA-N
MW297.35 g/mol
LogP3.15
Rot. Bonds4

About ethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate

ethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate (PubChem CID 102320644) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is ethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate.

Molecular Properties

Compound Nameethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate
PubChem CID102320644
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Nameethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate
SMILESCCOC(=O)[C@@H]1OCN(c2ccccc2)[C@@H]1c1ccccc1
InChIInChI=1S/C18H19NO3/c1-2-21-18(20)17-16(14-9-5-3-6-10-14)19(13-22-17)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3/t16-,17-/m1/s1
InChIKeyZAUFOHMLGWSXTL-IAGOWNOFSA-N
XLogP3.15
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of ethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate?
The IUPAC name of ethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate (CID 102320644) is ethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate.
What is the SMILES notation for ethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate?
The canonical SMILES for ethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate is CCOC(=O)[C@@H]1OCN(c2ccccc2)[C@@H]1c1ccccc1.
What is the InChIKey of ethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate?
The InChIKey is ZAUFOHMLGWSXTL-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H19NO3/c1-2-21-18(20)17-16(14-9-5-3-6-10-14)19(13-22-17)15-11-7-4-8-12-15/h3-12,16-17H,2,13H2,1H3/t16-,17-/m1/s1.
What are the key properties of ethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate?
ethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate has a molecular weight of 297.35 g/mol, XLogP of 3.15, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (4R,5R)-3,4-diphenyl-1,3-oxazolidine-5-carboxylate is sourced from PubChem (CID 102320644), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).