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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Related Compounds

Benzyl 4-benzyl-5-oxo-1,2-oxazolidine-2-carboxylate
CID 155538808
tert-butyl (3R,5S)-3-(2-methoxy-2-oxoethyl)-5-(4-methoxyphenyl)-1,2-oxazolidine-2-carboxylate
CID 11602758
ethyl 2-[(3R,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate
CID 11834343
ethyl 2-[(3S,5S)-2-methyl-3,5-diphenyl-1,2-oxazolidin-3-yl]acetate
CID 15317164
tert-butyl N-[(3R)-5-oxo-1-phenylhexan-3-yl]-N-phenylmethoxycarbamate
CID 25105585
benzyl (3R)-5-oxo-3-propyl-1,2-oxazolidine-2-carboxylate
CID 101848245
tert-butyl N-[(4R)-2-oxononan-4-yl]-N-phenylmethoxycarbamate
CID 102479335
tert-butyl N-[(2R)-4-oxohexan-2-yl]-N-phenylmethoxycarbamate
CID 102479336
tert-butyl N-[(5R)-3-oxododecan-5-yl]-N-phenylmethoxycarbamate
CID 102479339
tert-butyl N-[(2R)-4-oxooctan-2-yl]-N-phenylmethoxycarbamate
CID 102479341
tert-butyl N-[(4R)-6-oxodecan-4-yl]-N-phenylmethoxycarbamate
CID 102479342
methyl (2R)-2-[(3R,5S)-5-phenyl-1,2-oxazolidin-3-yl]propanoate
CID 102523732

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).