(4R)-4-hydroxy-4,5,5-trimethyl-3-pyridin-3-yl-1,3-oxazolidin-2-one

C11H14N2O3 — CID 691701

IUPAC(4R)-4-hydroxy-4,5,5-trimethyl-3-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(c2cccnc2)[C@]1(C)O
InChIInChI=1S/C11H14N2O3/c1-10(2)11(3,15)13(9(14)16-10)8-5-4-6-12-7-8/h4-7,15H,1-3H3/t11-/m1/s1
InChIKeyLLCPNZYFFOFVIT-LLVKDONJSA-N
MW222.24 g/mol
LogP1.53
Rot. Bonds1

About (4R)-4-hydroxy-4,5,5-trimethyl-3-pyridin-3-yl-1,3-oxazolidin-2-one

(4R)-4-hydroxy-4,5,5-trimethyl-3-pyridin-3-yl-1,3-oxazolidin-2-one (PubChem CID 691701) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is (4R)-4-hydroxy-4,5,5-trimethyl-3-pyridin-3-yl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-hydroxy-4,5,5-trimethyl-3-pyridin-3-yl-1,3-oxazolidin-2-one
PubChem CID691701
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name(4R)-4-hydroxy-4,5,5-trimethyl-3-pyridin-3-yl-1,3-oxazolidin-2-one
SMILESCC1(C)OC(=O)N(c2cccnc2)[C@]1(C)O
InChIInChI=1S/C11H14N2O3/c1-10(2)11(3,15)13(9(14)16-10)8-5-4-6-12-7-8/h4-7,15H,1-3H3/t11-/m1/s1
InChIKeyLLCPNZYFFOFVIT-LLVKDONJSA-N
XLogP1.53
TPSA62.66 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 51.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-hydroxy-4,5,5-trimethyl-3-pyridin-3-yl-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-hydroxy-4,5,5-trimethyl-3-pyridin-3-yl-1,3-oxazolidin-2-one (CID 691701) is (4R)-4-hydroxy-4,5,5-trimethyl-3-pyridin-3-yl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-hydroxy-4,5,5-trimethyl-3-pyridin-3-yl-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-hydroxy-4,5,5-trimethyl-3-pyridin-3-yl-1,3-oxazolidin-2-one is CC1(C)OC(=O)N(c2cccnc2)[C@]1(C)O.
What is the InChIKey of (4R)-4-hydroxy-4,5,5-trimethyl-3-pyridin-3-yl-1,3-oxazolidin-2-one?
The InChIKey is LLCPNZYFFOFVIT-LLVKDONJSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-10(2)11(3,15)13(9(14)16-10)8-5-4-6-12-7-8/h4-7,15H,1-3H3/t11-/m1/s1.
What are the key properties of (4R)-4-hydroxy-4,5,5-trimethyl-3-pyridin-3-yl-1,3-oxazolidin-2-one?
(4R)-4-hydroxy-4,5,5-trimethyl-3-pyridin-3-yl-1,3-oxazolidin-2-one has a molecular weight of 222.24 g/mol, XLogP of 1.53, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hydroxy-4,5,5-trimethyl-3-pyridin-3-yl-1,3-oxazolidin-2-one is sourced from PubChem (CID 691701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).