ethyl (3R,4S)-2,4-dimethyl-5,5-diphenyl-1,2-oxazolidine-3-carboxylate

C20H23NO3 — CID 10860353

IUPACethyl (3R,4S)-2,4-dimethyl-5,5-diphenyl-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](C)C(c2ccccc2)(c2ccccc2)ON1C
InChIInChI=1S/C20H23NO3/c1-4-23-19(22)18-15(2)20(24-21(18)3,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18H,4H2,1-3H3/t15-,18+/m0/s1
InChIKeyXITRDBPKHLTDAL-MAUKXSAKSA-N
MW325.41 g/mol
LogP3.38
Rot. Bonds4

About ethyl (3R,4S)-2,4-dimethyl-5,5-diphenyl-1,2-oxazolidine-3-carboxylate

ethyl (3R,4S)-2,4-dimethyl-5,5-diphenyl-1,2-oxazolidine-3-carboxylate (PubChem CID 10860353) has the molecular formula C20H23NO3 and a molecular weight of 325.41 g/mol. Its IUPAC name is ethyl (3R,4S)-2,4-dimethyl-5,5-diphenyl-1,2-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nameethyl (3R,4S)-2,4-dimethyl-5,5-diphenyl-1,2-oxazolidine-3-carboxylate
PubChem CID10860353
Molecular FormulaC20H23NO3
Molecular Weight325.41 g/mol
Exact Mass325.17
IUPAC Nameethyl (3R,4S)-2,4-dimethyl-5,5-diphenyl-1,2-oxazolidine-3-carboxylate
SMILESCCOC(=O)[C@H]1[C@H](C)C(c2ccccc2)(c2ccccc2)ON1C
InChIInChI=1S/C20H23NO3/c1-4-23-19(22)18-15(2)20(24-21(18)3,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18H,4H2,1-3H3/t15-,18+/m0/s1
InChIKeyXITRDBPKHLTDAL-MAUKXSAKSA-N
XLogP3.38
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl (3R,4S)-2,4-dimethyl-5,5-diphenyl-1,2-oxazolidine-3-carboxylate?
The IUPAC name of ethyl (3R,4S)-2,4-dimethyl-5,5-diphenyl-1,2-oxazolidine-3-carboxylate (CID 10860353) is ethyl (3R,4S)-2,4-dimethyl-5,5-diphenyl-1,2-oxazolidine-3-carboxylate.
What is the SMILES notation for ethyl (3R,4S)-2,4-dimethyl-5,5-diphenyl-1,2-oxazolidine-3-carboxylate?
The canonical SMILES for ethyl (3R,4S)-2,4-dimethyl-5,5-diphenyl-1,2-oxazolidine-3-carboxylate is CCOC(=O)[C@H]1[C@H](C)C(c2ccccc2)(c2ccccc2)ON1C.
What is the InChIKey of ethyl (3R,4S)-2,4-dimethyl-5,5-diphenyl-1,2-oxazolidine-3-carboxylate?
The InChIKey is XITRDBPKHLTDAL-MAUKXSAKSA-N. The full InChI is InChI=1S/C20H23NO3/c1-4-23-19(22)18-15(2)20(24-21(18)3,16-11-7-5-8-12-16)17-13-9-6-10-14-17/h5-15,18H,4H2,1-3H3/t15-,18+/m0/s1.
What are the key properties of ethyl (3R,4S)-2,4-dimethyl-5,5-diphenyl-1,2-oxazolidine-3-carboxylate?
ethyl (3R,4S)-2,4-dimethyl-5,5-diphenyl-1,2-oxazolidine-3-carboxylate has a molecular weight of 325.41 g/mol, XLogP of 3.38, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (3R,4S)-2,4-dimethyl-5,5-diphenyl-1,2-oxazolidine-3-carboxylate is sourced from PubChem (CID 10860353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).