(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl acetate

C18H19NO3 — CID 11231796

IUPAC(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl acetate
SMILESCC(=O)OCC1CC(c2ccccc2)N(c2ccccc2)O1
InChIInChI=1S/C18H19NO3/c1-14(20)21-13-17-12-18(15-8-4-2-5-9-15)19(22-17)16-10-6-3-7-11-16/h2-11,17-18H,12-13H2,1H3
InChIKeyDCTNNTZEVJMSDQ-UHFFFAOYSA-N
MW297.35 g/mol
LogP3.50
Rot. Bonds4

About (2,3-diphenyl-1,2-oxazolidin-5-yl)methyl acetate

(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl acetate (PubChem CID 11231796) has the molecular formula C18H19NO3 and a molecular weight of 297.35 g/mol. Its IUPAC name is (2,3-diphenyl-1,2-oxazolidin-5-yl)methyl acetate.

Molecular Properties

Compound Name(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl acetate
PubChem CID11231796
Molecular FormulaC18H19NO3
Molecular Weight297.35 g/mol
Exact Mass297.14
IUPAC Name(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl acetate
SMILESCC(=O)OCC1CC(c2ccccc2)N(c2ccccc2)O1
InChIInChI=1S/C18H19NO3/c1-14(20)21-13-17-12-18(15-8-4-2-5-9-15)19(22-17)16-10-6-3-7-11-16/h2-11,17-18H,12-13H2,1H3
InChIKeyDCTNNTZEVJMSDQ-UHFFFAOYSA-N
XLogP3.50
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 53.50
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
[3-(4-Chlorophenyl)-2-phenyl-isoxazolidin-5-yl]methyl acetate
CID 11381971
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
2,3-Diphenyl-5-acetoxyisoxazolidene
CID 13027784
[(3R,4R,5R)-2,3-diphenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate
CID 58618254
[(3R,4S,5S)-2,3-diphenyl-4-(trifluoromethyl)-1,2-oxazolidin-5-yl]methyl acetate
CID 58618255
[3-(4-Nitrophenyl)-2-phenyl-isoxazolidin-5-yl]methyl acetate
CID 11198650

Frequently Asked Questions

What is the IUPAC name of (2,3-diphenyl-1,2-oxazolidin-5-yl)methyl acetate?
The IUPAC name of (2,3-diphenyl-1,2-oxazolidin-5-yl)methyl acetate (CID 11231796) is (2,3-diphenyl-1,2-oxazolidin-5-yl)methyl acetate.
What is the SMILES notation for (2,3-diphenyl-1,2-oxazolidin-5-yl)methyl acetate?
The canonical SMILES for (2,3-diphenyl-1,2-oxazolidin-5-yl)methyl acetate is CC(=O)OCC1CC(c2ccccc2)N(c2ccccc2)O1.
What is the InChIKey of (2,3-diphenyl-1,2-oxazolidin-5-yl)methyl acetate?
The InChIKey is DCTNNTZEVJMSDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19NO3/c1-14(20)21-13-17-12-18(15-8-4-2-5-9-15)19(22-17)16-10-6-3-7-11-16/h2-11,17-18H,12-13H2,1H3.
What are the key properties of (2,3-diphenyl-1,2-oxazolidin-5-yl)methyl acetate?
(2,3-diphenyl-1,2-oxazolidin-5-yl)methyl acetate has a molecular weight of 297.35 g/mol, XLogP of 3.50, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-diphenyl-1,2-oxazolidin-5-yl)methyl acetate is sourced from PubChem (CID 11231796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).