methyl 3-pyridin-3-yl-2-(trideuteriomethyl)-1,2-oxazolidine-5-carboxylate

C11H14N2O3 — CID 10082380

IUPACmethyl 3-pyridin-3-yl-2-(trideuteriomethyl)-1,2-oxazolidine-5-carboxylate
SMILES[2H]C([2H])([2H])N1OC(C(=O)OC)CC1c1cccnc1
InChIInChI=1S/C11H14N2O3/c1-13-9(8-4-3-5-12-7-8)6-10(16-13)11(14)15-2/h3-5,7,9-10H,6H2,1-2H3/i1D3
InChIKeyOQRNMMJMUQFMEG-FIBGUPNXSA-N
MW225.26 g/mol
LogP0.93
Rot. Bonds3

About methyl 3-pyridin-3-yl-2-(trideuteriomethyl)-1,2-oxazolidine-5-carboxylate

methyl 3-pyridin-3-yl-2-(trideuteriomethyl)-1,2-oxazolidine-5-carboxylate (PubChem CID 10082380) has the molecular formula C11H14N2O3 and a molecular weight of 225.26 g/mol. Its IUPAC name is methyl 3-pyridin-3-yl-2-(trideuteriomethyl)-1,2-oxazolidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 3-pyridin-3-yl-2-(trideuteriomethyl)-1,2-oxazolidine-5-carboxylate
PubChem CID10082380
Molecular FormulaC11H14N2O3
Molecular Weight225.26 g/mol
Exact Mass225.12
IUPAC Namemethyl 3-pyridin-3-yl-2-(trideuteriomethyl)-1,2-oxazolidine-5-carboxylate
SMILES[2H]C([2H])([2H])N1OC(C(=O)OC)CC1c1cccnc1
InChIInChI=1S/C11H14N2O3/c1-13-9(8-4-3-5-12-7-8)6-10(16-13)11(14)15-2/h3-5,7,9-10H,6H2,1-2H3/i1D3
InChIKeyOQRNMMJMUQFMEG-FIBGUPNXSA-N
XLogP0.93
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500225.26
LogP ≤ 50.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

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[(5S)-10,10-dimethyl-3,3-dioxo-3λ6-thia-4-azatricyclo[5.2.1.01,5]decan-4-yl]-[(3S,5S)-2-methyl-3-pyridin-3-yl-1,2-oxazolidin-5-yl]methanone
CID 101356222
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3-[(2S,4R)-4-(methoxymethyl)-1-methylpyrrolidin-2-yl]pyridine
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3-[(2S)-4,4,5,5-tetradeuterio-1-(trideuteriomethyl)pyrrolidin-2-yl]pyridine
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methyl (1R,2R,4S)-2-pyridin-3-yl-7-azabicyclo[2.2.1]heptane-7-carboxylate
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Frequently Asked Questions

What is the IUPAC name of methyl 3-pyridin-3-yl-2-(trideuteriomethyl)-1,2-oxazolidine-5-carboxylate?
The IUPAC name of methyl 3-pyridin-3-yl-2-(trideuteriomethyl)-1,2-oxazolidine-5-carboxylate (CID 10082380) is methyl 3-pyridin-3-yl-2-(trideuteriomethyl)-1,2-oxazolidine-5-carboxylate.
What is the SMILES notation for methyl 3-pyridin-3-yl-2-(trideuteriomethyl)-1,2-oxazolidine-5-carboxylate?
The canonical SMILES for methyl 3-pyridin-3-yl-2-(trideuteriomethyl)-1,2-oxazolidine-5-carboxylate is [2H]C([2H])([2H])N1OC(C(=O)OC)CC1c1cccnc1.
What is the InChIKey of methyl 3-pyridin-3-yl-2-(trideuteriomethyl)-1,2-oxazolidine-5-carboxylate?
The InChIKey is OQRNMMJMUQFMEG-FIBGUPNXSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-13-9(8-4-3-5-12-7-8)6-10(16-13)11(14)15-2/h3-5,7,9-10H,6H2,1-2H3/i1D3.
What are the key properties of methyl 3-pyridin-3-yl-2-(trideuteriomethyl)-1,2-oxazolidine-5-carboxylate?
methyl 3-pyridin-3-yl-2-(trideuteriomethyl)-1,2-oxazolidine-5-carboxylate has a molecular weight of 225.26 g/mol, XLogP of 0.93, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-pyridin-3-yl-2-(trideuteriomethyl)-1,2-oxazolidine-5-carboxylate is sourced from PubChem (CID 10082380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).