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

C16H20FNO4 — CID 158836533

IUPACtert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@@H]1CON(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C16H20FNO4/c1-16(2,3)22-14(19)8-12-10-21-18(15(12)20)9-11-4-6-13(17)7-5-11/h4-7,12H,8-10H2,1-3H3/t12-/m1/s1
InChIKeyKYZBYHMBFNDGGR-GFCCVEGCSA-N
MW309.34 g/mol
LogP2.45
Rot. Bonds4

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

tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate (PubChem CID 158836533) has the molecular formula C16H20FNO4 and a molecular weight of 309.34 g/mol. Its IUPAC name is tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate.

Molecular Properties

Compound Nametert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate
PubChem CID158836533
Molecular FormulaC16H20FNO4
Molecular Weight309.34 g/mol
Exact Mass309.14
IUPAC Nametert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate
SMILESCC(C)(C)OC(=O)C[C@@H]1CON(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C16H20FNO4/c1-16(2,3)22-14(19)8-12-10-21-18(15(12)20)9-11-4-6-13(17)7-5-11/h4-7,12H,8-10H2,1-3H3/t12-/m1/s1
InChIKeyKYZBYHMBFNDGGR-GFCCVEGCSA-N
XLogP2.45
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.34
LogP ≤ 52.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate?
The IUPAC name of tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate (CID 158836533) is tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate.
What is the SMILES notation for tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate?
The canonical SMILES for tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate is CC(C)(C)OC(=O)C[C@@H]1CON(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate?
The InChIKey is KYZBYHMBFNDGGR-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H20FNO4/c1-16(2,3)22-14(19)8-12-10-21-18(15(12)20)9-11-4-6-13(17)7-5-11/h4-7,12H,8-10H2,1-3H3/t12-/m1/s1.
What are the key properties of tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate?
tert-butyl 2-[(4R)-2-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate has a molecular weight of 309.34 g/mol, XLogP of 2.45, 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-[(4-fluorophenyl)methyl]-3-oxo-1,2-oxazolidin-4-yl]acetate is sourced from PubChem (CID 158836533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).