tert-butyl 3-(5-fluoro-3-pyridinyl)-5-hydroxy-1,2-oxazolidine-2-carboxylate

C13H17FN2O4 — CID 162376515

IUPACtert-butyl 3-(5-fluoro-3-pyridinyl)-5-hydroxy-1,2-oxazolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1OC(O)CC1c1cncc(F)c1
InChIInChI=1S/C13H17FN2O4/c1-13(2,3)19-12(18)16-10(5-11(17)20-16)8-4-9(14)7-15-6-8/h4,6-7,10-11,17H,5H2,1-3H3
InChIKeyCOQILLMCYLQFFW-UHFFFAOYSA-N
MW284.29 g/mol
LogP2.15
Rot. Bonds1

About tert-butyl 3-(5-fluoro-3-pyridinyl)-5-hydroxy-1,2-oxazolidine-2-carboxylate

tert-butyl 3-(5-fluoro-3-pyridinyl)-5-hydroxy-1,2-oxazolidine-2-carboxylate (PubChem CID 162376515) has the molecular formula C13H17FN2O4 and a molecular weight of 284.29 g/mol. Its IUPAC name is tert-butyl 3-(5-fluoro-3-pyridinyl)-5-hydroxy-1,2-oxazolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-fluoro-3-pyridinyl)-5-hydroxy-1,2-oxazolidine-2-carboxylate
PubChem CID162376515
Molecular FormulaC13H17FN2O4
Molecular Weight284.29 g/mol
Exact Mass284.12
IUPAC Nametert-butyl 3-(5-fluoro-3-pyridinyl)-5-hydroxy-1,2-oxazolidine-2-carboxylate
SMILESCC(C)(C)OC(=O)N1OC(O)CC1c1cncc(F)c1
InChIInChI=1S/C13H17FN2O4/c1-13(2,3)19-12(18)16-10(5-11(17)20-16)8-4-9(14)7-15-6-8/h4,6-7,10-11,17H,5H2,1-3H3
InChIKeyCOQILLMCYLQFFW-UHFFFAOYSA-N
XLogP2.15
TPSA71.89 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.29
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

tert-butyl (3S)-5-hydroxy-3-pyrimidin-5-yl-1,2-oxazolidine-2-carboxylate
CID 162376487
tert-butyl 5-hydroxy-3-(1-methylpyrazol-4-yl)-1,2-oxazolidine-2-carboxylate
CID 162376374
1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
CID 129188882
tert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate
CID 175447838
tert-butyl 7-(5-fluoropyridine-3-carbonyl)-3-oxa-9-azabicyclo[3.3.1]nonane-9-carboxylate
CID 171950599
tert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate
CID 129188867
1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one
CID 129188877
tert-butyl (1S,9S)-4-fluoro-8-oxa-6,11-diazatricyclo[7.2.1.02,7]dodeca-2(7),3,5-triene-11-carboxylate
CID 166099913
tert-butyl (2R)-2-(2-chloro-5-fluoro-3-pyridinyl)pyrrolidine-1-carboxylate
CID 86664582
tert-butyl 4-[(5-fluoro-3-pyridinyl)methyl]-4-hydroxypiperidine-1-carboxylate
CID 134496740
tert-butyl 3-[1-(5-fluoro-3-pyridinyl)ethylamino]azetidine-1-carboxylate
CID 103788166
tert-butyl (2R,5R)-2-[(5-fluoro-3-pyridinyl)-hydroxymethyl]-5-propylpyrrolidine-1-carboxylate
CID 175179250

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-fluoro-3-pyridinyl)-5-hydroxy-1,2-oxazolidine-2-carboxylate?
The IUPAC name of tert-butyl 3-(5-fluoro-3-pyridinyl)-5-hydroxy-1,2-oxazolidine-2-carboxylate (CID 162376515) is tert-butyl 3-(5-fluoro-3-pyridinyl)-5-hydroxy-1,2-oxazolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-fluoro-3-pyridinyl)-5-hydroxy-1,2-oxazolidine-2-carboxylate?
The canonical SMILES for tert-butyl 3-(5-fluoro-3-pyridinyl)-5-hydroxy-1,2-oxazolidine-2-carboxylate is CC(C)(C)OC(=O)N1OC(O)CC1c1cncc(F)c1.
What is the InChIKey of tert-butyl 3-(5-fluoro-3-pyridinyl)-5-hydroxy-1,2-oxazolidine-2-carboxylate?
The InChIKey is COQILLMCYLQFFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17FN2O4/c1-13(2,3)19-12(18)16-10(5-11(17)20-16)8-4-9(14)7-15-6-8/h4,6-7,10-11,17H,5H2,1-3H3.
What are the key properties of tert-butyl 3-(5-fluoro-3-pyridinyl)-5-hydroxy-1,2-oxazolidine-2-carboxylate?
tert-butyl 3-(5-fluoro-3-pyridinyl)-5-hydroxy-1,2-oxazolidine-2-carboxylate has a molecular weight of 284.29 g/mol, XLogP of 2.15, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-fluoro-3-pyridinyl)-5-hydroxy-1,2-oxazolidine-2-carboxylate is sourced from PubChem (CID 162376515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).