(4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine

C21H26N2O2 — CID 10545000

IUPAC(4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine
SMILESc1ccc(C[C@H]2COCN2CN2COC[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-7-18(8-4-1)11-20-13-24-16-22(20)15-23-17-25-14-21(23)12-19-9-5-2-6-10-19/h1-10,20-21H,11-17H2/t20-,21-/m0/s1
InChIKeyIVWSKTYVRSLPSD-SFTDATJTSA-N
MW338.45 g/mol
LogP2.75
Rot. Bonds6

About (4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine

(4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine (PubChem CID 10545000) has the molecular formula C21H26N2O2 and a molecular weight of 338.45 g/mol. Its IUPAC name is (4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine.

Molecular Properties

Compound Name(4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine
PubChem CID10545000
Molecular FormulaC21H26N2O2
Molecular Weight338.45 g/mol
Exact Mass338.20
IUPAC Name(4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine
SMILESc1ccc(C[C@H]2COCN2CN2COC[C@@H]2Cc2ccccc2)cc1
InChIInChI=1S/C21H26N2O2/c1-3-7-18(8-4-1)11-20-13-24-16-22(20)15-23-17-25-14-21(23)12-19-9-5-2-6-10-19/h1-10,20-21H,11-17H2/t20-,21-/m0/s1
InChIKeyIVWSKTYVRSLPSD-SFTDATJTSA-N
XLogP2.75
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.45
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze (4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(3S)-3-benzylmorpholin-4-yl]ethanol
CID 175622792
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-phenylethanone
CID 135240996
3,5-dibenzylmorpholine-4-carboxylic acid
CID 174864328
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]butan-1-one
CID 102507909
3-benzyl-4-methylmorpholine;ethane
CID 168940239
(4S)-4-benzyl-3-[2-(5-chloro-1H-indol-3-yl)ethyl]-1,3-oxazolidine
CID 141441299
(3R)-3-benzyl-4-tert-butylmorpholine
CID 138601634
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2-methoxyethoxy)ethanone
CID 140978325
(2R)-2-benzyl-1-methylaziridine
CID 87174257
1-[(4R)-4-benzyl-1,3-oxazolidin-3-yl]-2-(3-chlorophenyl)ethanone
CID 141321769
1-[(4S)-4-benzyl-1,3-oxazolidin-3-yl]-2-(2,2,2-trifluoroethoxy)ethanone
CID 151312894
3-(3-benzylmorpholin-4-yl)-1-piperazin-1-ylpropan-1-one;hydrochloride
CID 120980885

Frequently Asked Questions

What is the IUPAC name of (4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine?
The IUPAC name of (4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine (CID 10545000) is (4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine.
What is the SMILES notation for (4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine?
The canonical SMILES for (4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine is c1ccc(C[C@H]2COCN2CN2COC[C@@H]2Cc2ccccc2)cc1.
What is the InChIKey of (4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine?
The InChIKey is IVWSKTYVRSLPSD-SFTDATJTSA-N. The full InChI is InChI=1S/C21H26N2O2/c1-3-7-18(8-4-1)11-20-13-24-16-22(20)15-23-17-25-14-21(23)12-19-9-5-2-6-10-19/h1-10,20-21H,11-17H2/t20-,21-/m0/s1.
What are the key properties of (4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine?
(4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine has a molecular weight of 338.45 g/mol, XLogP of 2.75, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-benzyl-3-[[(4S)-4-benzyl-1,3-oxazolidin-3-yl]methyl]-1,3-oxazolidine is sourced from PubChem (CID 10545000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).