tert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate

C16H21NO4 — CID 147034000

IUPACtert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@@H]1CON(Cc2ccccc2)C1=O
InChIInChI=1S/C16H21NO4/c1-16(2,3)21-14(18)9-13-11-20-17(15(13)19)10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m1/s1
InChIKeyAYDIAFJSLGFZAD-CYBMUJFWSA-N
MW291.35 g/mol
LogP2.31
Rot. Bonds4

About tert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate

tert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate (PubChem CID 147034000) has the molecular formula C16H21NO4 and a molecular weight of 291.35 g/mol. Its IUPAC name is tert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate
PubChem CID147034000
Molecular FormulaC16H21NO4
Molecular Weight291.35 g/mol
Exact Mass291.15
IUPAC Nametert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@@H]1CON(Cc2ccccc2)C1=O
InChIInChI=1S/C16H21NO4/c1-16(2,3)21-14(18)9-13-11-20-17(15(13)19)10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m1/s1
InChIKeyAYDIAFJSLGFZAD-CYBMUJFWSA-N
XLogP2.31
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.35
LogP ≤ 52.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(bromomethyl)-4-fluorobenzene;tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate;tert-butyl 2-(3-oxo-1,2-oxazolidin-4-yl)acetate
CID 159779002
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CID 10502137
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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate?
The IUPAC name of tert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate (CID 147034000) is tert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate is CC(C)(C)OC(=O)C[C@@H]1CON(Cc2ccccc2)C1=O.
What is the InChIKey of tert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate?
The InChIKey is AYDIAFJSLGFZAD-CYBMUJFWSA-N. The full InChI is InChI=1S/C16H21NO4/c1-16(2,3)21-14(18)9-13-11-20-17(15(13)19)10-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3/t13-/m1/s1.
What are the key properties of tert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate?
tert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate has a molecular weight of 291.35 g/mol, XLogP of 2.31, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-[(4R)-2-benzyl-3-oxo-1,2-oxazolidin-4-yl]acetate is sourced from PubChem (CID 147034000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).