tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate

C14H16FNO4 — CID 141011533

IUPACtert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate
SMILESCC(C)(C)OC(=O)c1ccc(N2CCOC2=O)cc1F
InChIInChI=1S/C14H16FNO4/c1-14(2,3)20-12(17)10-5-4-9(8-11(10)15)16-6-7-19-13(16)18/h4-5,8H,6-7H2,1-3H3
InChIKeyNEUFRYKTHOBVDI-UHFFFAOYSA-N
MW281.28 g/mol
LogP2.74
Rot. Bonds2

About tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate

tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate (PubChem CID 141011533) has the molecular formula C14H16FNO4 and a molecular weight of 281.28 g/mol. Its IUPAC name is tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate.

Molecular Properties

Compound Nametert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate
PubChem CID141011533
Molecular FormulaC14H16FNO4
Molecular Weight281.28 g/mol
Exact Mass281.11
IUPAC Nametert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate
SMILESCC(C)(C)OC(=O)c1ccc(N2CCOC2=O)cc1F
InChIInChI=1S/C14H16FNO4/c1-14(2,3)20-12(17)10-5-4-9(8-11(10)15)16-6-7-19-13(16)18/h4-5,8H,6-7H2,1-3H3
InChIKeyNEUFRYKTHOBVDI-UHFFFAOYSA-N
XLogP2.74
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.28
LogP ≤ 52.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylidene]propanedinitrile
CID 141213401
[3-[3-fluoro-4-[(2-methylpropan-2-yl)oxycarbonyl]phenyl]-2-oxo-1,3-oxazolidin-5-yl]methylimino-methyliminoazanium
CID 142236789
3-(4-bromo-3-fluorophenyl)-1,3-oxazolidin-2-one;methanesulfonic acid
CID 158400380
ethyl 4-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]benzoate
CID 142694824
3-(3-bromo-4-fluorophenyl)-1,3-oxazolidin-2-one
CID 104779667
3-(3-fluoro-4-piperazin-1-ylphenyl)-1,3-oxazolidin-2-one
CID 20785452
methyl N-[[1-[2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)phenyl]piperidin-4-ylidene]amino]carbamate
CID 139681959
3-[4-[4-(5-ethyl-3-methyl-2-pyridinyl)piperazine-1-carbonyl]-3-fluorophenyl]-1,3-oxazolidin-2-one
CID 58484633
5-[2-fluoro-5-(2-oxo-1,3-oxazolidin-3-yl)anilino]-3,3-dimethyl-5-oxopentanoic acid
CID 47704137
2-fluoro-N-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)-N-(1-phenylethyl)benzamide
CID 167975644
ethane;3-(3-fluoro-4-phenylmethoxyphenyl)-1,3-oxazolidin-2-one;methanol
CID 142959688
3-[3-methoxy-4-(prop-2-ynylamino)phenyl]-1,3-oxazolidin-2-one
CID 171616357

Frequently Asked Questions

What is the IUPAC name of tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate?
The IUPAC name of tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate (CID 141011533) is tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate.
What is the SMILES notation for tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate?
The canonical SMILES for tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate is CC(C)(C)OC(=O)c1ccc(N2CCOC2=O)cc1F.
What is the InChIKey of tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate?
The InChIKey is NEUFRYKTHOBVDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16FNO4/c1-14(2,3)20-12(17)10-5-4-9(8-11(10)15)16-6-7-19-13(16)18/h4-5,8H,6-7H2,1-3H3.
What are the key properties of tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate?
tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate has a molecular weight of 281.28 g/mol, XLogP of 2.74, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 2-fluoro-4-(2-oxo-1,3-oxazolidin-3-yl)benzoate is sourced from PubChem (CID 141011533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).