5-benzyl-3-(3-oxo-3-phenylpropyl)-1,3-oxazolidin-2-one

C19H19NO3 — CID 54254428

IUPAC5-benzyl-3-(3-oxo-3-phenylpropyl)-1,3-oxazolidin-2-one
SMILESO=C(CCN1CC(Cc2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C19H19NO3/c21-18(16-9-5-2-6-10-16)11-12-20-14-17(23-19(20)22)13-15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChIKeyQZAAGIYWPQQYFT-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.32
Rot. Bonds6

About 5-benzyl-3-(3-oxo-3-phenylpropyl)-1,3-oxazolidin-2-one

5-benzyl-3-(3-oxo-3-phenylpropyl)-1,3-oxazolidin-2-one (PubChem CID 54254428) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 5-benzyl-3-(3-oxo-3-phenylpropyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name5-benzyl-3-(3-oxo-3-phenylpropyl)-1,3-oxazolidin-2-one
PubChem CID54254428
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name5-benzyl-3-(3-oxo-3-phenylpropyl)-1,3-oxazolidin-2-one
SMILESO=C(CCN1CC(Cc2ccccc2)OC1=O)c1ccccc1
InChIInChI=1S/C19H19NO3/c21-18(16-9-5-2-6-10-16)11-12-20-14-17(23-19(20)22)13-15-7-3-1-4-8-15/h1-10,17H,11-14H2
InChIKeyQZAAGIYWPQQYFT-UHFFFAOYSA-N
XLogP3.32
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(S)-1-(4-Fluorophenyl)-5-(2-oxo-4-phenyloxazolidin-3-yl)pentane-1,5-dione
CID 11187377
[(4R,5S)-4-benzyl-3-butyl-2-oxo-1,3-oxazolidin-5-yl]methyl 2-phenylacetate
CID 44413292
[(4R,5S)-3-butyl-2-oxo-4-(3-phenylpropyl)-1,3-oxazolidin-5-yl]methyl 2-phenylacetate
CID 44413306
1-(4-Fluorophenyl)-5-(2-oxo-4-phenyl-3-oxazolidinyl)-1,5-pentanedione
CID 22052685
(5S)-5-(4-fluorobenzoyl)-3-[(1R)-1-phenylethyl]-1,3-oxazolidin-2-one
CID 11758792
tert-butyl (3S,4S)-3-[1-(4-acetylphenyl)ethenyl]-4-hydroxypyrrolidine-1-carboxylate
CID 101848163
(S)-4-Benzyl-3-(3-phenylpropanoyl)oxazolidin-2-one
CID 10957844
(4S)-3-(2-Phenylacetyl)-4-(phenylmethyl)-2-oxazolidinone
CID 11130206
(4R)-4-Benzyl-3-(phenylacetyl)-1,3-oxazolidin-2-one
CID 15597772
(1-oxo-1-phenylpropan-2-yl) N,N-dibutylcarbamate
CID 58710946
tert-butyl(2R)-2-benzoylmorpholine-4-carboxylate
CID 68598384
(1-Oxo-1-phenylpropan-2-yl) pyrrolidine-1-carboxylate
CID 163613761

Frequently Asked Questions

What is the IUPAC name of 5-benzyl-3-(3-oxo-3-phenylpropyl)-1,3-oxazolidin-2-one?
The IUPAC name of 5-benzyl-3-(3-oxo-3-phenylpropyl)-1,3-oxazolidin-2-one (CID 54254428) is 5-benzyl-3-(3-oxo-3-phenylpropyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 5-benzyl-3-(3-oxo-3-phenylpropyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 5-benzyl-3-(3-oxo-3-phenylpropyl)-1,3-oxazolidin-2-one is O=C(CCN1CC(Cc2ccccc2)OC1=O)c1ccccc1.
What is the InChIKey of 5-benzyl-3-(3-oxo-3-phenylpropyl)-1,3-oxazolidin-2-one?
The InChIKey is QZAAGIYWPQQYFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c21-18(16-9-5-2-6-10-16)11-12-20-14-17(23-19(20)22)13-15-7-3-1-4-8-15/h1-10,17H,11-14H2.
What are the key properties of 5-benzyl-3-(3-oxo-3-phenylpropyl)-1,3-oxazolidin-2-one?
5-benzyl-3-(3-oxo-3-phenylpropyl)-1,3-oxazolidin-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.32, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-benzyl-3-(3-oxo-3-phenylpropyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 54254428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).