(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one

C20H21NO3 — CID 131876215

IUPAC(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
SMILESCCc1ccccc1CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C20H21NO3/c1-2-16-10-6-7-11-17(16)13-19(22)21-18(14-24-20(21)23)12-15-8-4-3-5-9-15/h3-11,18H,2,12-14H2,1H3/t18-/m1/s1
InChIKeyMVBHKQAPLGOANB-GOSISDBHSA-N
MW323.39 g/mol
LogP3.38
Rot. Bonds5

About (4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 131876215) has the molecular formula C20H21NO3 and a molecular weight of 323.39 g/mol. Its IUPAC name is (4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID131876215
Molecular FormulaC20H21NO3
Molecular Weight323.39 g/mol
Exact Mass323.15
IUPAC Name(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
SMILESCCc1ccccc1CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1
InChIInChI=1S/C20H21NO3/c1-2-16-10-6-7-11-17(16)13-19(22)21-18(14-24-20(21)23)12-15-8-4-3-5-9-15/h3-11,18H,2,12-14H2,1H3/t18-/m1/s1
InChIKeyMVBHKQAPLGOANB-GOSISDBHSA-N
XLogP3.38
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.39
LogP ≤ 53.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 15597771
(4S)-4-benzyl-3-(2-phenylacetyl)-1,3-oxazolidin-2-one
CID 11130206
(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid
CID 167582466
4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 72957232
(4S)-4-benzyl-3-[2-(3-bromo-2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 167505232
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,4-dione
CID 176582828
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-4-benzyl-3-[2-[2-(trifluoromethoxy)phenyl]acetyl]-1,3-oxazolidin-2-one
CID 16755427
(4R)-4-benzyl-3-undecanoyl-1,3-oxazolidin-2-one
CID 71349223
(4R)-4-benzyl-3-octanoyl-1,3-oxazolidin-2-one
CID 10286343
4-benzyl-3-(3-hydroxy-3-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 118938439

Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one (CID 131876215) is (4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one is CCc1ccccc1CC(=O)N1C(=O)OC[C@H]1Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is MVBHKQAPLGOANB-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21NO3/c1-2-16-10-6-7-11-17(16)13-19(22)21-18(14-24-20(21)23)12-15-8-4-3-5-9-15/h3-11,18H,2,12-14H2,1H3/t18-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 323.39 g/mol, XLogP of 3.38, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-[2-(2-ethylphenyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 131876215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).