ethyl 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate

C20H23NO3 — CID 11834343

IUPACethyl 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate
SMILESCCOC(=O)C[C@@]1(c2ccccc2)C[C@@H](c2ccccc2)ON1C
InChIInChI=1S/C20H23NO3/c1-3-23-19(22)15-20(17-12-8-5-9-13-17)14-18(24-21(20)2)16-10-6-4-7-11-16/h4-13,18H,3,14-15H2,1-2H3/t18-,20+/m0/s1
InChIKeyDNTURUNMEMDLTF-AZUAARDMSA-N
MW325.41 g/mol
LogP3.84
Rot. Bonds5

About ethyl 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate

ethyl 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate (PubChem CID 11834343) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate.

Molecular Properties

Compound Nameethyl 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate
PubChem CID11834343
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nameethyl 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate
SMILESCCOC(=O)C[C@@]1(c2ccccc2)C[C@@H](c2ccccc2)ON1C
InChIInChI=1S/C20H23NO3/c1-3-23-19(22)15-20(17-12-8-5-9-13-17)14-18(24-21(20)2)16-10-6-4-7-11-16/h4-13,18H,3,14-15H2,1-2H3/t18-,20+/m0/s1
InChIKeyDNTURUNMEMDLTF-AZUAARDMSA-N
XLogP3.84
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze ethyl 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate 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 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate?
The IUPAC name of ethyl 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate (CID 11834343) is ethyl 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate.
What is the SMILES notation for ethyl 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate?
The canonical SMILES for ethyl 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate is CCOC(=O)C[C@@]1(c2ccccc2)C[C@@H](c2ccccc2)ON1C.
What is the InChIKey of ethyl 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate?
The InChIKey is DNTURUNMEMDLTF-AZUAARDMSA-N. The full InChI is InChI=1S/C20H23NO3/c1-3-23-19(22)15-20(17-12-8-5-9-13-17)14-18(24-21(20)2)16-10-6-4-7-11-16/h4-13,18H,3,14-15H2,1-2H3/t18-,20+/m0/s1.
What are the key properties of ethyl 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate?
ethyl 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate has a molecular weight of 325.41 g/mol, XLogP of 3.84, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate is sourced from PubChem (CID 11834343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).