tert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate

C17H25NO4 — CID 10733533

IUPACtert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
SMILESCCO[C@@H]1C[C@H](C(=O)OC(C)(C)C)N(Cc2ccccc2)O1
InChIInChI=1S/C17H25NO4/c1-5-20-15-11-14(16(19)21-17(2,3)4)18(22-15)12-13-9-7-6-8-10-13/h6-10,14-15H,5,11-12H2,1-4H3/t14-,15+/m1/s1
InChIKeyZQIQSGAPSZGWLL-CABCVRRESA-N
MW307.39 g/mol
LogP2.90
Rot. Bonds5

About tert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate

tert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate (PubChem CID 10733533) has the molecular formula C17H25NO4 and a molecular weight of 307.39 g/mol. Its IUPAC name is tert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate.

Molecular Properties

Compound Nametert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
PubChem CID10733533
Molecular FormulaC17H25NO4
Molecular Weight307.39 g/mol
Exact Mass307.18
IUPAC Nametert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
SMILESCCO[C@@H]1C[C@H](C(=O)OC(C)(C)C)N(Cc2ccccc2)O1
InChIInChI=1S/C17H25NO4/c1-5-20-15-11-14(16(19)21-17(2,3)4)18(22-15)12-13-9-7-6-8-10-13/h6-10,14-15H,5,11-12H2,1-4H3/t14-,15+/m1/s1
InChIKeyZQIQSGAPSZGWLL-CABCVRRESA-N
XLogP2.90
TPSA48.00 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.39
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Yqubbxwdelbocl-grdndaewsa-
CID 23236181
Futmcrnitxpcap-stqmwfeesa-
CID 23236183
ethyl (3S,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
CID 10660312
ethyl (3S,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate
CID 10660313
ethyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
CID 10779047
(3R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-one
CID 10901884
ethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate
CID 10912885
(3R,4S)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-1,2-oxazolidin-5-one
CID 10935188
[(3R,5R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl] acetate
CID 10958212
methyl (3R)-3-[benzyl(hydroxy)amino]-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 11130667
[(3S,5S)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl] acetate
CID 11370661
[(3R,5S)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl] acetate
CID 11404453

Frequently Asked Questions

What is the IUPAC name of tert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate?
The IUPAC name of tert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate (CID 10733533) is tert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate.
What is the SMILES notation for tert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate?
The canonical SMILES for tert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate is CCO[C@@H]1C[C@H](C(=O)OC(C)(C)C)N(Cc2ccccc2)O1.
What is the InChIKey of tert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate?
The InChIKey is ZQIQSGAPSZGWLL-CABCVRRESA-N. The full InChI is InChI=1S/C17H25NO4/c1-5-20-15-11-14(16(19)21-17(2,3)4)18(22-15)12-13-9-7-6-8-10-13/h6-10,14-15H,5,11-12H2,1-4H3/t14-,15+/m1/s1.
What are the key properties of tert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate?
tert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate has a molecular weight of 307.39 g/mol, XLogP of 2.90, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate is sourced from PubChem (CID 10733533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).