[(5R)-5-acetyl-4-phenylmethoxy-5-(phenylmethoxymethyl)-1,2-oxazolidin-3-yl] acetate

C22H25NO6 — CID 138708722

IUPAC[(5R)-5-acetyl-4-phenylmethoxy-5-(phenylmethoxymethyl)-1,2-oxazolidin-3-yl] acetate
SMILESCC(=O)OC1NO[C@@](COCc2ccccc2)(C(C)=O)C1OCc1ccccc1
InChIInChI=1S/C22H25NO6/c1-16(24)22(15-26-13-18-9-5-3-6-10-18)20(21(23-29-22)28-17(2)25)27-14-19-11-7-4-8-12-19/h3-12,20-21,23H,13-15H2,1-2H3/t20?,21?,22-/m0/s1
InChIKeyJNHYMKSVUVXLLF-HRTMPFAESA-N
MW399.44 g/mol
LogP2.54
Rot. Bonds9

About [(5R)-5-acetyl-4-phenylmethoxy-5-(phenylmethoxymethyl)-1,2-oxazolidin-3-yl] acetate

[(5R)-5-acetyl-4-phenylmethoxy-5-(phenylmethoxymethyl)-1,2-oxazolidin-3-yl] acetate (PubChem CID 138708722) has the molecular formula C22H25NO6 and a molecular weight of 399.44 g/mol. Its IUPAC name is [(5R)-5-acetyl-4-phenylmethoxy-5-(phenylmethoxymethyl)-1,2-oxazolidin-3-yl] acetate.

Molecular Properties

Compound Name[(5R)-5-acetyl-4-phenylmethoxy-5-(phenylmethoxymethyl)-1,2-oxazolidin-3-yl] acetate
PubChem CID138708722
Molecular FormulaC22H25NO6
Molecular Weight399.44 g/mol
Exact Mass399.17
IUPAC Name[(5R)-5-acetyl-4-phenylmethoxy-5-(phenylmethoxymethyl)-1,2-oxazolidin-3-yl] acetate
SMILESCC(=O)OC1NO[C@@](COCc2ccccc2)(C(C)=O)C1OCc1ccccc1
InChIInChI=1S/C22H25NO6/c1-16(24)22(15-26-13-18-9-5-3-6-10-18)20(21(23-29-22)28-17(2)25)27-14-19-11-7-4-8-12-19/h3-12,20-21,23H,13-15H2,1-2H3/t20?,21?,22-/m0/s1
InChIKeyJNHYMKSVUVXLLF-HRTMPFAESA-N
XLogP2.54
TPSA83.09 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.44
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

CID 123841413
CID 123841413
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CID 66906843
1-[(2S,3S,4S,5R)-5-acetyl-2,3-dihydroxy-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-2-yl]-5-methylpyrimidine-2,4-dione
CID 175677847
[(3S,5S)-2-acetyloxy-5-(methylsulfonyloxymethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] acetate
CID 58879645
[(2R,3R,4S,5R)-2-acetyloxy-4-phenylmethoxy-5-(phenylmethoxymethyl)-5-(2,2,2-trifluoroethyl)oxolan-3-yl] acetate
CID 169068206
methyl (5R)-2,2-dimethyl-6-phenylmethoxy-5-(phenylmethoxymethyl)-6,6a-dihydro-3aH-furo[2,3-d][1,3]dioxole-5-carboxylate
CID 126587243
[(2S,3S,5S)-2-acetyloxy-5-[(4-methylphenyl)sulfonyloxymethyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] acetate
CID 58635815
[(3R,4S,5R)-2-acetyloxy-5-(1-azidoethyl)-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] acetate
CID 135235571
[(3R,4S,5R)-2-acetyloxy-5-[2-(4-methylphenyl)sulfonyloxyethyl]-4-phenylmethoxy-5-(phenylmethoxymethyl)oxolan-3-yl] acetate
CID 102572683
[(1R,3R,4R,5R,6R,7R)-7-acetyloxy-4,6-bis(phenylmethoxy)-5-(phenylmethoxymethyl)-2,8-dioxabicyclo[3.2.1]octan-3-yl]methyl acetate
CID 102507208
[(2R,3S,4S)-4-acetyloxy-2-[(1S)-1-methylsulfonyloxyethyl]-3-phenylmethoxyoxolan-2-yl]methyl acetate
CID 146028794
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Frequently Asked Questions

What is the IUPAC name of [(5R)-5-acetyl-4-phenylmethoxy-5-(phenylmethoxymethyl)-1,2-oxazolidin-3-yl] acetate?
The IUPAC name of [(5R)-5-acetyl-4-phenylmethoxy-5-(phenylmethoxymethyl)-1,2-oxazolidin-3-yl] acetate (CID 138708722) is [(5R)-5-acetyl-4-phenylmethoxy-5-(phenylmethoxymethyl)-1,2-oxazolidin-3-yl] acetate.
What is the SMILES notation for [(5R)-5-acetyl-4-phenylmethoxy-5-(phenylmethoxymethyl)-1,2-oxazolidin-3-yl] acetate?
The canonical SMILES for [(5R)-5-acetyl-4-phenylmethoxy-5-(phenylmethoxymethyl)-1,2-oxazolidin-3-yl] acetate is CC(=O)OC1NO[C@@](COCc2ccccc2)(C(C)=O)C1OCc1ccccc1.
What is the InChIKey of [(5R)-5-acetyl-4-phenylmethoxy-5-(phenylmethoxymethyl)-1,2-oxazolidin-3-yl] acetate?
The InChIKey is JNHYMKSVUVXLLF-HRTMPFAESA-N. The full InChI is InChI=1S/C22H25NO6/c1-16(24)22(15-26-13-18-9-5-3-6-10-18)20(21(23-29-22)28-17(2)25)27-14-19-11-7-4-8-12-19/h3-12,20-21,23H,13-15H2,1-2H3/t20?,21?,22-/m0/s1.
What are the key properties of [(5R)-5-acetyl-4-phenylmethoxy-5-(phenylmethoxymethyl)-1,2-oxazolidin-3-yl] acetate?
[(5R)-5-acetyl-4-phenylmethoxy-5-(phenylmethoxymethyl)-1,2-oxazolidin-3-yl] acetate has a molecular weight of 399.44 g/mol, XLogP of 2.54, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(5R)-5-acetyl-4-phenylmethoxy-5-(phenylmethoxymethyl)-1,2-oxazolidin-3-yl] acetate is sourced from PubChem (CID 138708722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).