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

C19H19NO3 — CID 72957232

IUPAC4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(CC(=O)N2C(=O)OCC2Cc2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c1-14-7-9-16(10-8-14)12-18(21)20-17(13-23-19(20)22)11-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3
InChIKeyJADHSZKFTKCAIF-UHFFFAOYSA-N
MW309.37 g/mol
LogP3.13
Rot. Bonds4

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

4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one (PubChem CID 72957232) has the molecular formula C19H19NO3 and a molecular weight of 309.37 g/mol. Its IUPAC name is 4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one
PubChem CID72957232
Molecular FormulaC19H19NO3
Molecular Weight309.37 g/mol
Exact Mass309.14
IUPAC Name4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one
SMILESCc1ccc(CC(=O)N2C(=O)OCC2Cc2ccccc2)cc1
InChIInChI=1S/C19H19NO3/c1-14-7-9-16(10-8-14)12-18(21)20-17(13-23-19(20)22)11-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3
InChIKeyJADHSZKFTKCAIF-UHFFFAOYSA-N
XLogP3.13
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.37
LogP ≤ 53.13
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-ethylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 131876215
4-benzyl-3-[2-(4-methoxy-3-methylphenyl)acetyl]-1,3-oxazolidin-2-one
CID 69145722
(4R)-4-benzyl-3-[2-(4-chloro-3-fluorophenyl)acetyl]-1,3-oxazolidin-2-one
CID 59580359
1,6-bis[(4R)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,6-dione
CID 92642348
(4S)-3-acetyl-4-benzyl-1,3-oxazolidin-2-one
CID 735929
(4S)-3-[2-(3-benzoylphenyl)acetyl]-4-benzyl-1,3-oxazolidin-2-one
CID 15935410
(4R)-4-benzyl-3-[(E)-1-hydroxyprop-1-enyl]-1,3-oxazolidin-2-one
CID 100990536
4-benzyl-3-(3-hydroxy-3-phenylbutanoyl)-1,3-oxazolidin-2-one
CID 118938439
(4R)-4-benzyl-3-[2-(2-fluorophenyl)acetyl]-1,3-oxazolidin-2-one;2-(2-fluorophenyl)acetic acid
CID 167582466
1-[(4S)-4-benzyl-2-oxo-1,3-oxazolidin-3-yl]hexane-1,4-dione
CID 176582828

Frequently Asked Questions

What is the IUPAC name of 4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one?
The IUPAC name of 4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one (CID 72957232) is 4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one is Cc1ccc(CC(=O)N2C(=O)OCC2Cc2ccccc2)cc1.
What is the InChIKey of 4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one?
The InChIKey is JADHSZKFTKCAIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19NO3/c1-14-7-9-16(10-8-14)12-18(21)20-17(13-23-19(20)22)11-15-5-3-2-4-6-15/h2-10,17H,11-13H2,1H3.
What are the key properties of 4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one?
4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one has a molecular weight of 309.37 g/mol, XLogP of 3.13, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-benzyl-3-[2-(4-methylphenyl)acetyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 72957232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).