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

C9H8LiNO2 — CID 10953937

IUPAClithium (4S)-4-phenyl-1,3-oxazolidin-3-id-2-one
SMILESO=C1[N-][C@@H](c2ccccc2)CO1.[Li+]
InChIInChI=1S/C9H9NO2.Li/c11-9-10-8(6-12-9)7-4-2-1-3-5-7;/h1-5,8H,6H2,(H,10,11);/q;+1/p-1/t8-;/m1./s1
InChIKeyHRFWPCNUKHEZCG-DDWIOCJRSA-M
MW169.11 g/mol
LogP-0.74
Rot. Bonds1

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

lithium (4S)-4-phenyl-1,3-oxazolidin-3-id-2-one (PubChem CID 10953937) has the molecular formula C9H8LiNO2 and a molecular weight of 169.11 g/mol. Its IUPAC name is lithium (4S)-4-phenyl-1,3-oxazolidin-3-id-2-one.

Molecular Properties

Compound Namelithium (4S)-4-phenyl-1,3-oxazolidin-3-id-2-one
PubChem CID10953937
Molecular FormulaC9H8LiNO2
Molecular Weight169.11 g/mol
Exact Mass169.07
IUPAC Namelithium (4S)-4-phenyl-1,3-oxazolidin-3-id-2-one
SMILESO=C1[N-][C@@H](c2ccccc2)CO1.[Li+]
InChIInChI=1S/C9H9NO2.Li/c11-9-10-8(6-12-9)7-4-2-1-3-5-7;/h1-5,8H,6H2,(H,10,11);/q;+1/p-1/t8-;/m1./s1
InChIKeyHRFWPCNUKHEZCG-DDWIOCJRSA-M
XLogP-0.74
TPSA40.40 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.11
LogP ≤ 5-0.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(4R)-4-phenyl-1,3-oxazolidin-2-one
CID 730425
(R)-4-Benzyl-2-oxazolidinone
CID 2734969
3,4-Dimethyl-5-Phenyl-1,3-Oxazolidin-2-One
CID 237192
2-Oxazolidinone, 4-phenyl-, (4S)-
CID 730424
(S)-4-Benzyl-2-oxazolidinone
CID 736225
(4S)-4-Benzyl-3-propanoyl-1,3-oxazolidin-2-one
CID 2733696
(S)-(+)-5,5-Dimethyl-4-phenyl-2-oxazolidinone
CID 2733820
(R)-(-)-5,5-Dimethyl-4-phenyl-2-oxazolidinone
CID 6950851
(4R)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134136675
3-[4-[Benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134150074
(4S)-3-[4-[benzyl(methyl)amino]butyl]-4-phenyl-1,3-oxazolidin-2-one
CID 134157470
4-Phenyloxazolidin-2-one
CID 349728

Frequently Asked Questions

What is the IUPAC name of lithium (4S)-4-phenyl-1,3-oxazolidin-3-id-2-one?
The IUPAC name of lithium (4S)-4-phenyl-1,3-oxazolidin-3-id-2-one (CID 10953937) is lithium (4S)-4-phenyl-1,3-oxazolidin-3-id-2-one.
What is the SMILES notation for lithium (4S)-4-phenyl-1,3-oxazolidin-3-id-2-one?
The canonical SMILES for lithium (4S)-4-phenyl-1,3-oxazolidin-3-id-2-one is O=C1[N-][C@@H](c2ccccc2)CO1.[Li+].
What is the InChIKey of lithium (4S)-4-phenyl-1,3-oxazolidin-3-id-2-one?
The InChIKey is HRFWPCNUKHEZCG-DDWIOCJRSA-M. The full InChI is InChI=1S/C9H9NO2.Li/c11-9-10-8(6-12-9)7-4-2-1-3-5-7;/h1-5,8H,6H2,(H,10,11);/q;+1/p-1/t8-;/m1./s1.
What are the key properties of lithium (4S)-4-phenyl-1,3-oxazolidin-3-id-2-one?
lithium (4S)-4-phenyl-1,3-oxazolidin-3-id-2-one has a molecular weight of 169.11 g/mol, XLogP of -0.74, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for lithium (4S)-4-phenyl-1,3-oxazolidin-3-id-2-one is sourced from PubChem (CID 10953937), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).