tert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate

C14H19FN2O3 — CID 175447838

IUPACtert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate
SMILESCc1c(F)cncc1C1CCON1C(=O)OC(C)(C)C
InChIInChI=1S/C14H19FN2O3/c1-9-10(7-16-8-11(9)15)12-5-6-19-17(12)13(18)20-14(2,3)4/h7-8,12H,5-6H2,1-4H3
InChIKeyDQYZRSMSRXPJMT-UHFFFAOYSA-N
MW282.31 g/mol
LogP3.14
Rot. Bonds1

About tert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate

tert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate (PubChem CID 175447838) has the molecular formula C14H19FN2O3 and a molecular weight of 282.31 g/mol. Its IUPAC name is tert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate.

Molecular Properties

Compound Nametert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate
PubChem CID175447838
Molecular FormulaC14H19FN2O3
Molecular Weight282.31 g/mol
Exact Mass282.14
IUPAC Nametert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate
SMILESCc1c(F)cncc1C1CCON1C(=O)OC(C)(C)C
InChIInChI=1S/C14H19FN2O3/c1-9-10(7-16-8-11(9)15)12-5-6-19-17(12)13(18)20-14(2,3)4/h7-8,12H,5-6H2,1-4H3
InChIKeyDQYZRSMSRXPJMT-UHFFFAOYSA-N
XLogP3.14
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.31
LogP ≤ 53.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Launch Full Analysis

Related Compounds

tert-butyl (3S)-3-(3-cyano-5-fluoro-4-methylphenyl)-1,2-oxazolidine-2-carboxylate
CID 168823433
tert-butyl 3-(3-fluorophenyl)-1,2-oxazolidine-2-carboxylate
CID 129188867
tert-butyl (3S,4S)-3-fluoro-4-[3-(2,3,5-trifluorophenyl)-1,2-oxazolidine-2-carbonyl]piperidine-1-carboxylate
CID 155668576
tert-butyl 4-[(3S)-3-pyrimidin-5-yl-1,2-oxazolidine-2-carbonyl]piperidine-1-carboxylate
CID 162376580
1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethylpropan-1-one
CID 129188882
tert-butyl 3-(5-fluoro-3-pyridinyl)-5-hydroxy-1,2-oxazolidine-2-carboxylate
CID 162376515
(3S)-2-[(2-methylpropan-2-yl)oxycarbonyl]-1,2-oxazolidine-3-carboxylic acid
CID 67558381
tert-butyl (3R,4R)-3-fluoro-4-[(3S)-3-(5-isocyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidine-1-carboxylate
CID 168839024
tert-butyl (3R)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carboxylate;5-[(3R)-1,2-oxazolidin-3-yl]pyridine-3-carbonitrile;2,2,2-trifluoroacetic acid
CID 175877325
tert-butyl 4-[(3S)-3-(5-cyano-3-pyridinyl)-1,2-oxazolidine-2-carbonyl]piperidine-1-carboxylate
CID 162376389
tert-butyl (3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine-2-carboxylate;(3S)-3-(5-methylfuran-3-yl)-1,2-oxazolidine
CID 175877455
1-[(3S)-3-(5-fluoro-3-pyridinyl)-1,2-oxazolidin-2-yl]-2,2-dimethyl-3-(trifluoromethoxy)propan-1-one
CID 129188877

Frequently Asked Questions

What is the IUPAC name of tert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate?
The IUPAC name of tert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate (CID 175447838) is tert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate.
What is the SMILES notation for tert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate?
The canonical SMILES for tert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate is Cc1c(F)cncc1C1CCON1C(=O)OC(C)(C)C.
What is the InChIKey of tert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate?
The InChIKey is DQYZRSMSRXPJMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN2O3/c1-9-10(7-16-8-11(9)15)12-5-6-19-17(12)13(18)20-14(2,3)4/h7-8,12H,5-6H2,1-4H3.
What are the key properties of tert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate?
tert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate has a molecular weight of 282.31 g/mol, XLogP of 3.14, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 3-(5-fluoro-4-methyl-3-pyridinyl)-1,2-oxazolidine-2-carboxylate is sourced from PubChem (CID 175447838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).