lithium 4-benzyl-5,5-dimethyl-1,3-oxazolidin-3-id-2-one

C12H14LiNO2 — CID 22593972

IUPAClithium 4-benzyl-5,5-dimethyl-1,3-oxazolidin-3-id-2-one
SMILESCC1(C)OC(=O)[N-]C1Cc1ccccc1.[Li+]
InChIInChI=1S/C12H15NO2.Li/c1-12(2)10(13-11(14)15-12)8-9-6-4-3-5-7-9;/h3-7,10H,8H2,1-2H3,(H,13,14);/q;+1/p-1
InChIKeyXLTJXUOSIJGHRV-UHFFFAOYSA-M
MW211.19 g/mol
LogP-0.10
Rot. Bonds2

About lithium 4-benzyl-5,5-dimethyl-1,3-oxazolidin-3-id-2-one

lithium 4-benzyl-5,5-dimethyl-1,3-oxazolidin-3-id-2-one (PubChem CID 22593972) has the molecular formula C12H14LiNO2 and a molecular weight of 211.19 g/mol. Its IUPAC name is lithium 4-benzyl-5,5-dimethyl-1,3-oxazolidin-3-id-2-one.

Molecular Properties

Compound Namelithium 4-benzyl-5,5-dimethyl-1,3-oxazolidin-3-id-2-one
PubChem CID22593972
Molecular FormulaC12H14LiNO2
Molecular Weight211.19 g/mol
Exact Mass211.12
IUPAC Namelithium 4-benzyl-5,5-dimethyl-1,3-oxazolidin-3-id-2-one
SMILESCC1(C)OC(=O)[N-]C1Cc1ccccc1.[Li+]
InChIInChI=1S/C12H15NO2.Li/c1-12(2)10(13-11(14)15-12)8-9-6-4-3-5-7-9;/h3-7,10H,8H2,1-2H3,(H,13,14);/q;+1/p-1
InChIKeyXLTJXUOSIJGHRV-UHFFFAOYSA-M
XLogP-0.10
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.19
LogP ≤ 5-0.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of lithium 4-benzyl-5,5-dimethyl-1,3-oxazolidin-3-id-2-one?
The IUPAC name of lithium 4-benzyl-5,5-dimethyl-1,3-oxazolidin-3-id-2-one (CID 22593972) is lithium 4-benzyl-5,5-dimethyl-1,3-oxazolidin-3-id-2-one.
What is the SMILES notation for lithium 4-benzyl-5,5-dimethyl-1,3-oxazolidin-3-id-2-one?
The canonical SMILES for lithium 4-benzyl-5,5-dimethyl-1,3-oxazolidin-3-id-2-one is CC1(C)OC(=O)[N-]C1Cc1ccccc1.[Li+].
What is the InChIKey of lithium 4-benzyl-5,5-dimethyl-1,3-oxazolidin-3-id-2-one?
The InChIKey is XLTJXUOSIJGHRV-UHFFFAOYSA-M. The full InChI is InChI=1S/C12H15NO2.Li/c1-12(2)10(13-11(14)15-12)8-9-6-4-3-5-7-9;/h3-7,10H,8H2,1-2H3,(H,13,14);/q;+1/p-1.
What are the key properties of lithium 4-benzyl-5,5-dimethyl-1,3-oxazolidin-3-id-2-one?
lithium 4-benzyl-5,5-dimethyl-1,3-oxazolidin-3-id-2-one has a molecular weight of 211.19 g/mol, XLogP of -0.10, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 4-benzyl-5,5-dimethyl-1,3-oxazolidin-3-id-2-one is sourced from PubChem (CID 22593972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).