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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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).