[3-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1,3-oxazolidin-5-yl]methyl acetate

C14H14FNO5 — CID 155927366

IUPAC[3-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1,3-oxazolidin-5-yl]methyl acetate
SMILESCC(=O)OCC1(C)OC(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C14H14FNO5/c1-9(17)20-8-14(2)12(18)16(13(19)21-14)7-10-3-5-11(15)6-4-10/h3-6H,7-8H2,1-2H3
InChIKeyVNSDCBMPECRYGQ-UHFFFAOYSA-N
MW295.27 g/mol
LogP1.63
Rot. Bonds4

About [3-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1,3-oxazolidin-5-yl]methyl acetate

[3-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1,3-oxazolidin-5-yl]methyl acetate (PubChem CID 155927366) has the molecular formula C14H14FNO5 and a molecular weight of 295.27 g/mol. Its IUPAC name is [3-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1,3-oxazolidin-5-yl]methyl acetate.

Molecular Properties

Compound Name[3-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1,3-oxazolidin-5-yl]methyl acetate
PubChem CID155927366
Molecular FormulaC14H14FNO5
Molecular Weight295.27 g/mol
Exact Mass295.09
IUPAC Name[3-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1,3-oxazolidin-5-yl]methyl acetate
SMILESCC(=O)OCC1(C)OC(=O)N(Cc2ccc(F)cc2)C1=O
InChIInChI=1S/C14H14FNO5/c1-9(17)20-8-14(2)12(18)16(13(19)21-14)7-10-3-5-11(15)6-4-10/h3-6H,7-8H2,1-2H3
InChIKeyVNSDCBMPECRYGQ-UHFFFAOYSA-N
XLogP1.63
TPSA72.91 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.27
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1,3-oxazolidin-5-yl]methyl acetate?
The IUPAC name of [3-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1,3-oxazolidin-5-yl]methyl acetate (CID 155927366) is [3-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1,3-oxazolidin-5-yl]methyl acetate.
What is the SMILES notation for [3-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1,3-oxazolidin-5-yl]methyl acetate?
The canonical SMILES for [3-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1,3-oxazolidin-5-yl]methyl acetate is CC(=O)OCC1(C)OC(=O)N(Cc2ccc(F)cc2)C1=O.
What is the InChIKey of [3-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1,3-oxazolidin-5-yl]methyl acetate?
The InChIKey is VNSDCBMPECRYGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14FNO5/c1-9(17)20-8-14(2)12(18)16(13(19)21-14)7-10-3-5-11(15)6-4-10/h3-6H,7-8H2,1-2H3.
What are the key properties of [3-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1,3-oxazolidin-5-yl]methyl acetate?
[3-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1,3-oxazolidin-5-yl]methyl acetate has a molecular weight of 295.27 g/mol, XLogP of 1.63, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-[(4-fluorophenyl)methyl]-5-methyl-2,4-dioxo-1,3-oxazolidin-5-yl]methyl acetate is sourced from PubChem (CID 155927366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).