lithium (4S)-4-benzyl-1,3-oxazolidin-2-one

C10H11LiNO2+ — CID 21353540

IUPAClithium (4S)-4-benzyl-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](Cc2ccccc2)CO1.[Li+]
InChIInChI=1S/C10H11NO2.Li/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8;/h1-5,9H,6-7H2,(H,11,12);/q;+1/t9-;/m0./s1
InChIKeyUNWHDOBWJMTBIY-FVGYRXGTSA-N
MW184.14 g/mol
LogP-1.66
Rot. Bonds2

About lithium (4S)-4-benzyl-1,3-oxazolidin-2-one

lithium (4S)-4-benzyl-1,3-oxazolidin-2-one (PubChem CID 21353540) has the molecular formula C10H11LiNO2+ and a molecular weight of 184.14 g/mol. Its IUPAC name is lithium (4S)-4-benzyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Namelithium (4S)-4-benzyl-1,3-oxazolidin-2-one
PubChem CID21353540
Molecular FormulaC10H11LiNO2+
Molecular Weight184.14 g/mol
Exact Mass184.09
IUPAC Namelithium (4S)-4-benzyl-1,3-oxazolidin-2-one
SMILESO=C1N[C@@H](Cc2ccccc2)CO1.[Li+]
InChIInChI=1S/C10H11NO2.Li/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8;/h1-5,9H,6-7H2,(H,11,12);/q;+1/t9-;/m0./s1
InChIKeyUNWHDOBWJMTBIY-FVGYRXGTSA-N
XLogP-1.66
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.14
LogP ≤ 5-1.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-phenylphenyl)methyl]-1,3-oxazolidin-2-one
CID 170381802
4-[(4-iodophenyl)methyl]-1,3-oxazolidin-2-one
CID 175523266
(4R)-4-benzyl-5,5-dideuterio-1,3-oxazolidin-2-one
CID 102157327
(3S,6Z)-3-benzyl-3,4-dihydro-2H-1,4-oxazocine-5,8-dione
CID 102189345
(4S)-4-[(4-aminophenyl)methyl]-1,3-oxazolidin-2-one;ethane
CID 143785043
(4R)-4-[(4-methoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 10398104
4-[(2-methylphenyl)methyl]-1,3-oxazolidin-2-one
CID 117158894
(3R)-3-benzyl-3,4-dihydro-2H-1,4-benzoxazine
CID 11195468
(4S)-4-(triphenylsilylmethyl)-1,3-oxazolidin-2-one
CID 15391415
(5S,15R)-5,15-dibenzyl-3,17-dioxa-6,14,23,24-tetrazatricyclo[17.3.1.18,12]tetracosa-1(23),8(24),9,11,19,21-hexaene-2,7,13,18-tetrone
CID 21457258
4-[(4-propoxyphenyl)methyl]-1,3-oxazolidin-2-one
CID 18338957
4-benzyl-1,3-oxazolidine
CID 22719793

Frequently Asked Questions

What is the IUPAC name of lithium (4S)-4-benzyl-1,3-oxazolidin-2-one?
The IUPAC name of lithium (4S)-4-benzyl-1,3-oxazolidin-2-one (CID 21353540) is lithium (4S)-4-benzyl-1,3-oxazolidin-2-one.
What is the SMILES notation for lithium (4S)-4-benzyl-1,3-oxazolidin-2-one?
The canonical SMILES for lithium (4S)-4-benzyl-1,3-oxazolidin-2-one is O=C1N[C@@H](Cc2ccccc2)CO1.[Li+].
What is the InChIKey of lithium (4S)-4-benzyl-1,3-oxazolidin-2-one?
The InChIKey is UNWHDOBWJMTBIY-FVGYRXGTSA-N. The full InChI is InChI=1S/C10H11NO2.Li/c12-10-11-9(7-13-10)6-8-4-2-1-3-5-8;/h1-5,9H,6-7H2,(H,11,12);/q;+1/t9-;/m0./s1.
What are the key properties of lithium (4S)-4-benzyl-1,3-oxazolidin-2-one?
lithium (4S)-4-benzyl-1,3-oxazolidin-2-one has a molecular weight of 184.14 g/mol, XLogP of -1.66, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4S)-4-benzyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 21353540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).