tert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate

C17H23NO5 — CID 11198020

IUPACtert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate
SMILESCOC(=O)C[C@H]1C[C@@H](c2ccccc2)ON1C(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO5/c1-17(2,3)22-16(20)18-13(11-15(19)21-4)10-14(23-18)12-8-6-5-7-9-12/h5-9,13-14H,10-11H2,1-4H3/t13-,14+/m1/s1
InChIKeyUFKLZTXACOZRPM-KGLIPLIRSA-N
MW321.37 g/mol
LogP3.23
Rot. Bonds3

About tert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate

tert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate (PubChem CID 11198020) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is tert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate
PubChem CID11198020
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Nametert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate
SMILESCOC(=O)C[C@H]1C[C@@H](c2ccccc2)ON1C(=O)OC(C)(C)C
InChIInChI=1S/C17H23NO5/c1-17(2,3)22-16(20)18-13(11-15(19)21-4)10-14(23-18)12-8-6-5-7-9-12/h5-9,13-14H,10-11H2,1-4H3/t13-,14+/m1/s1
InChIKeyUFKLZTXACOZRPM-KGLIPLIRSA-N
XLogP3.23
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 53.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate?
The IUPAC name of tert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate (CID 11198020) is tert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate.
What is the SMILES notation for tert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate?
The canonical SMILES for tert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate is COC(=O)C[C@H]1C[C@@H](c2ccccc2)ON1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate?
The InChIKey is UFKLZTXACOZRPM-KGLIPLIRSA-N. The full InChI is InChI=1S/C17H23NO5/c1-17(2,3)22-16(20)18-13(11-15(19)21-4)10-14(23-18)12-8-6-5-7-9-12/h5-9,13-14H,10-11H2,1-4H3/t13-,14+/m1/s1.
What are the key properties of tert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate?
tert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate has a molecular weight of 321.37 g/mol, XLogP of 3.23, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-phenyl-1,2-oxazolidine-2-carboxylate is sourced from PubChem (CID 11198020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).