3-[6-(1-hydroxyethyl)-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one;toluene

C18H22N2O3 — CID 176710419

IUPAC3-[6-(1-hydroxyethyl)-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one;toluene
SMILESCc1cc(C(C)O)nc(N2CCOC2=O)c1.Cc1ccccc1
InChIInChI=1S/C11H14N2O3.C7H8/c1-7-5-9(8(2)14)12-10(6-7)13-3-4-16-11(13)15;1-7-5-3-2-4-6-7/h5-6,8,14H,3-4H2,1-2H3;2-6H,1H3
InChIKeyRNXLWWZCRNNZTB-UHFFFAOYSA-N
MW314.39 g/mol
LogP3.39
Rot. Bonds2

About 3-[6-(1-hydroxyethyl)-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one;toluene

3-[6-(1-hydroxyethyl)-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one;toluene (PubChem CID 176710419) has the molecular formula C18H22N2O3 and a molecular weight of 314.39 g/mol. Its IUPAC name is 3-[6-(1-hydroxyethyl)-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one;toluene.

Molecular Properties

Compound Name3-[6-(1-hydroxyethyl)-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one;toluene
PubChem CID176710419
Molecular FormulaC18H22N2O3
Molecular Weight314.39 g/mol
Exact Mass314.16
IUPAC Name3-[6-(1-hydroxyethyl)-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one;toluene
SMILESCc1cc(C(C)O)nc(N2CCOC2=O)c1.Cc1ccccc1
InChIInChI=1S/C11H14N2O3.C7H8/c1-7-5-9(8(2)14)12-10(6-7)13-3-4-16-11(13)15;1-7-5-3-2-4-6-7/h5-6,8,14H,3-4H2,1-2H3;2-6H,1H3
InChIKeyRNXLWWZCRNNZTB-UHFFFAOYSA-N
XLogP3.39
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.39
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[6-(1-hydroxyethyl)-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one
CID 176710420
6-cyano-3-[1-[4-methyl-6-(2-oxo-1,3-oxazolidin-3-yl)-2-pyridinyl]ethylamino]pyridine-2-carboxylic acid;toluene
CID 176710412
3-[3-(1-hydroxyethyl)-5-methylphenyl]-1,3-oxazolidin-2-one
CID 176710441
3-(2-chloro-6-methylpyrimidin-4-yl)-1,3-oxazolidin-2-one
CID 130285167
6-chloro-3-[1-[3-methyl-5-(2-oxo-1,3-oxazolidin-3-yl)phenyl]ethylamino]pyridine-2-carboxylic acid;toluene
CID 176710428
3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130284682
3-[2-[1-[4-(2-methyl-4-pyridinyl)phenyl]ethylamino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285433
3-(4-phenylphenyl)-1,3-oxazolidin-2-one
CID 102377598
3-(4,6-difluoro-2-pyridinyl)-1,3-oxazolidin-2-one
CID 118956075
3-methyl-1,3-oxazinan-2-one;toluene
CID 161105180
3-[2-[[(1R)-1-[2-(trifluoromethyl)phenyl]ethyl]amino]pyrimidin-4-yl]-1,3-oxazolidin-2-one
CID 130285255
3-[(E)-pent-2-enoyl]-1,3-oxazolidin-2-one;toluene
CID 142842352

Frequently Asked Questions

What is the IUPAC name of 3-[6-(1-hydroxyethyl)-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one;toluene?
The IUPAC name of 3-[6-(1-hydroxyethyl)-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one;toluene (CID 176710419) is 3-[6-(1-hydroxyethyl)-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one;toluene.
What is the SMILES notation for 3-[6-(1-hydroxyethyl)-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one;toluene?
The canonical SMILES for 3-[6-(1-hydroxyethyl)-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one;toluene is Cc1cc(C(C)O)nc(N2CCOC2=O)c1.Cc1ccccc1.
What is the InChIKey of 3-[6-(1-hydroxyethyl)-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one;toluene?
The InChIKey is RNXLWWZCRNNZTB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3.C7H8/c1-7-5-9(8(2)14)12-10(6-7)13-3-4-16-11(13)15;1-7-5-3-2-4-6-7/h5-6,8,14H,3-4H2,1-2H3;2-6H,1H3.
What are the key properties of 3-[6-(1-hydroxyethyl)-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one;toluene?
3-[6-(1-hydroxyethyl)-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one;toluene has a molecular weight of 314.39 g/mol, XLogP of 3.39, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-(1-hydroxyethyl)-4-methyl-2-pyridinyl]-1,3-oxazolidin-2-one;toluene is sourced from PubChem (CID 176710419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).