[(2R)-2-[(3R,4S)-4-acetyloxy-2-benzyl-1,2-oxazolidin-3-yl]propyl] acetate

C17H23NO5 — CID 11381646

IUPAC[(2R)-2-[(3R,4S)-4-acetyloxy-2-benzyl-1,2-oxazolidin-3-yl]propyl] acetate
SMILESCC(=O)OC[C@H](C)[C@@H]1[C@H](OC(C)=O)CON1Cc1ccccc1
InChIInChI=1S/C17H23NO5/c1-12(10-21-13(2)19)17-16(23-14(3)20)11-22-18(17)9-15-7-5-4-6-8-15/h4-8,12,16-17H,9-11H2,1-3H3/t12-,16+,17+/m0/s1
InChIKeyQOIUHEJGGNVLOT-JCURWCKSSA-N
MW321.37 g/mol
LogP1.93
Rot. Bonds6

About [(2R)-2-[(3R,4S)-4-acetyloxy-2-benzyl-1,2-oxazolidin-3-yl]propyl] acetate

[(2R)-2-[(3R,4S)-4-acetyloxy-2-benzyl-1,2-oxazolidin-3-yl]propyl] acetate (PubChem CID 11381646) has the molecular formula C17H23NO5 and a molecular weight of 321.37 g/mol. Its IUPAC name is [(2R)-2-[(3R,4S)-4-acetyloxy-2-benzyl-1,2-oxazolidin-3-yl]propyl] acetate.

Molecular Properties

Compound Name[(2R)-2-[(3R,4S)-4-acetyloxy-2-benzyl-1,2-oxazolidin-3-yl]propyl] acetate
PubChem CID11381646
Molecular FormulaC17H23NO5
Molecular Weight321.37 g/mol
Exact Mass321.16
IUPAC Name[(2R)-2-[(3R,4S)-4-acetyloxy-2-benzyl-1,2-oxazolidin-3-yl]propyl] acetate
SMILESCC(=O)OC[C@H](C)[C@@H]1[C@H](OC(C)=O)CON1Cc1ccccc1
InChIInChI=1S/C17H23NO5/c1-12(10-21-13(2)19)17-16(23-14(3)20)11-22-18(17)9-15-7-5-4-6-8-15/h4-8,12,16-17H,9-11H2,1-3H3/t12-,16+,17+/m0/s1
InChIKeyQOIUHEJGGNVLOT-JCURWCKSSA-N
XLogP1.93
TPSA65.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze [(2R)-2-[(3R,4S)-4-acetyloxy-2-benzyl-1,2-oxazolidin-3-yl]propyl] acetate with MolForge

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Launch Full Analysis

Related Compounds

N-benzyl-N-[(1R)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl]hydroxylamine
CID 10516661
[(3R)-1-benzylpyrrolidin-3-yl] acetate
CID 10104835
1-Benzylpyrrolidin-3-yl acetate
CID 15623662
[(2R,3R)-2,3-diacetyloxy-3-[(1S,4S,5R,6R)-5-acetyloxy-7-benzyl-3,8-dioxa-7-azabicyclo[4.2.1]nonan-4-yl]propyl] acetate
CID 383843
N-benzyl-N-[(1S)-1-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]but-3-enyl]hydroxylamine
CID 10540497
ethyl (3S,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate
CID 10660313
tert-butyl (3R,5S)-2-benzyl-5-ethoxy-1,2-oxazolidine-3-carboxylate
CID 10733533
(3R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-one
CID 10901884
ethyl (3R,5S)-2-benzyl-5-methoxy-5-methyl-1,2-oxazolidine-3-carboxylate
CID 10912885
(3R,4S)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-methyl-1,2-oxazolidin-5-one
CID 10935188
[(3R,5R)-2-benzyl-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-1,2-oxazolidin-5-yl] acetate
CID 10958212
methyl (3R)-3-[benzyl(hydroxy)amino]-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]propanoate
CID 11130667

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[(3R,4S)-4-acetyloxy-2-benzyl-1,2-oxazolidin-3-yl]propyl] acetate?
The IUPAC name of [(2R)-2-[(3R,4S)-4-acetyloxy-2-benzyl-1,2-oxazolidin-3-yl]propyl] acetate (CID 11381646) is [(2R)-2-[(3R,4S)-4-acetyloxy-2-benzyl-1,2-oxazolidin-3-yl]propyl] acetate.
What is the SMILES notation for [(2R)-2-[(3R,4S)-4-acetyloxy-2-benzyl-1,2-oxazolidin-3-yl]propyl] acetate?
The canonical SMILES for [(2R)-2-[(3R,4S)-4-acetyloxy-2-benzyl-1,2-oxazolidin-3-yl]propyl] acetate is CC(=O)OC[C@H](C)[C@@H]1[C@H](OC(C)=O)CON1Cc1ccccc1.
What is the InChIKey of [(2R)-2-[(3R,4S)-4-acetyloxy-2-benzyl-1,2-oxazolidin-3-yl]propyl] acetate?
The InChIKey is QOIUHEJGGNVLOT-JCURWCKSSA-N. The full InChI is InChI=1S/C17H23NO5/c1-12(10-21-13(2)19)17-16(23-14(3)20)11-22-18(17)9-15-7-5-4-6-8-15/h4-8,12,16-17H,9-11H2,1-3H3/t12-,16+,17+/m0/s1.
What are the key properties of [(2R)-2-[(3R,4S)-4-acetyloxy-2-benzyl-1,2-oxazolidin-3-yl]propyl] acetate?
[(2R)-2-[(3R,4S)-4-acetyloxy-2-benzyl-1,2-oxazolidin-3-yl]propyl] acetate has a molecular weight of 321.37 g/mol, XLogP of 1.93, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[(3R,4S)-4-acetyloxy-2-benzyl-1,2-oxazolidin-3-yl]propyl] acetate is sourced from PubChem (CID 11381646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).