[(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl] acetate

C17H17NO3 — CID 13027784

IUPAC[(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl] acetate
SMILESCC(=O)O[C@H]1C[C@@H](c2ccccc2)N(c2ccccc2)O1
InChIInChI=1S/C17H17NO3/c1-13(19)20-17-12-16(14-8-4-2-5-9-14)18(21-17)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3/t16-,17+/m0/s1
InChIKeyNFCRCWGPKGNBJN-DLBZAZTESA-N
MW283.33 g/mol
LogP3.46
Rot. Bonds3

About [(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl] acetate

[(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl] acetate (PubChem CID 13027784) has the molecular formula C17H17NO3 and a molecular weight of 283.33 g/mol. Its IUPAC name is [(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl] acetate.

Molecular Properties

Compound Name[(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl] acetate
PubChem CID13027784
Molecular FormulaC17H17NO3
Molecular Weight283.33 g/mol
Exact Mass283.12
IUPAC Name[(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl] acetate
SMILESCC(=O)O[C@H]1C[C@@H](c2ccccc2)N(c2ccccc2)O1
InChIInChI=1S/C17H17NO3/c1-13(19)20-17-12-16(14-8-4-2-5-9-14)18(21-17)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3/t16-,17+/m0/s1
InChIKeyNFCRCWGPKGNBJN-DLBZAZTESA-N
XLogP3.46
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

Methyl 2,3-diphenyl-1,2-oxazolidine-5-carboxylate
CID 330343
[3-(4-Fluorophenyl)-2-phenyl-1,2-oxazolidin-5-yl] acetate
CID 11335620
(3R,5R)-5-[(2-methylpropan-2-yl)oxy]-2,3-diphenyl-1,2-oxazolidine
CID 11044705
(3R,5S)-5-[(2-methylpropan-2-yl)oxy]-2,3-diphenyl-1,2-oxazolidine
CID 11055592
(3R,5R)-5-ethoxy-2-phenyl-3-[4-(trifluoromethyl)phenyl]-1,2-oxazolidine
CID 135054650
5-Acetoxy-2,3-diphenylisoxazolidine
CID 5260089
[3-(4-Nitrophenyl)-2-phenyl-isoxazolidin-5-yl] acetate
CID 5260094
(3R,5S)-5-ethoxy-2,3-diphenyl-1,2-oxazolidine
CID 11119127
(3S,5S)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914315
(3S,5R)-2-benzyl-5-ethoxy-3-phenyl-1,2-oxazolidine
CID 100914316
tert-butyl 3-(N-hydroxyanilino)-3-phenylpropanoate
CID 102009683
2,3-Diphenyl-1,2-oxazolidin-5-one
CID 59288142

Frequently Asked Questions

What is the IUPAC name of [(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl] acetate?
The IUPAC name of [(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl] acetate (CID 13027784) is [(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl] acetate.
What is the SMILES notation for [(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl] acetate?
The canonical SMILES for [(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl] acetate is CC(=O)O[C@H]1C[C@@H](c2ccccc2)N(c2ccccc2)O1.
What is the InChIKey of [(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl] acetate?
The InChIKey is NFCRCWGPKGNBJN-DLBZAZTESA-N. The full InChI is InChI=1S/C17H17NO3/c1-13(19)20-17-12-16(14-8-4-2-5-9-14)18(21-17)15-10-6-3-7-11-15/h2-11,16-17H,12H2,1H3/t16-,17+/m0/s1.
What are the key properties of [(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl] acetate?
[(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl] acetate has a molecular weight of 283.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,5R)-2,3-diphenyl-1,2-oxazolidin-5-yl] acetate is sourced from PubChem (CID 13027784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).