4-hydroxy-4,5,5-trimethyl-3-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one

C12H16N2O3 — CID 3243236

IUPAC4-hydroxy-4,5,5-trimethyl-3-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one
SMILESCc1ccnc(N2C(=O)OC(C)(C)C2(C)O)c1
InChIInChI=1S/C12H16N2O3/c1-8-5-6-13-9(7-8)14-10(15)17-11(2,3)12(14,4)16/h5-7,16H,1-4H3
InChIKeyPWBAVXIURTVDQW-UHFFFAOYSA-N
MW236.27 g/mol
LogP1.83
Rot. Bonds1

About 4-hydroxy-4,5,5-trimethyl-3-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one

4-hydroxy-4,5,5-trimethyl-3-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one (PubChem CID 3243236) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is 4-hydroxy-4,5,5-trimethyl-3-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-4,5,5-trimethyl-3-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one
PubChem CID3243236
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Name4-hydroxy-4,5,5-trimethyl-3-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one
SMILESCc1ccnc(N2C(=O)OC(C)(C)C2(C)O)c1
InChIInChI=1S/C12H16N2O3/c1-8-5-6-13-9(7-8)14-10(15)17-11(2,3)12(14,4)16/h5-7,16H,1-4H3
InChIKeyPWBAVXIURTVDQW-UHFFFAOYSA-N
XLogP1.83
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-4,5,5-trimethyl-3-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one?
The IUPAC name of 4-hydroxy-4,5,5-trimethyl-3-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one (CID 3243236) is 4-hydroxy-4,5,5-trimethyl-3-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-hydroxy-4,5,5-trimethyl-3-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 4-hydroxy-4,5,5-trimethyl-3-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one is Cc1ccnc(N2C(=O)OC(C)(C)C2(C)O)c1.
What is the InChIKey of 4-hydroxy-4,5,5-trimethyl-3-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one?
The InChIKey is PWBAVXIURTVDQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-5-6-13-9(7-8)14-10(15)17-11(2,3)12(14,4)16/h5-7,16H,1-4H3.
What are the key properties of 4-hydroxy-4,5,5-trimethyl-3-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one?
4-hydroxy-4,5,5-trimethyl-3-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one has a molecular weight of 236.27 g/mol, XLogP of 1.83, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-4,5,5-trimethyl-3-(4-methyl-2-pyridinyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 3243236), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).