(4R)-4-benzyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one

C18H15NO2 — CID 11242880

IUPAC(4R)-4-benzyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](Cc2ccccc2)N1C#Cc1ccccc1
InChIInChI=1S/C18H15NO2/c20-18-19(12-11-15-7-3-1-4-8-15)17(14-21-18)13-16-9-5-2-6-10-16/h1-10,17H,13-14H2/t17-/m1/s1
InChIKeyCEDCENOJSBATAK-QGZVFWFLSA-N
MW277.32 g/mol
LogP3.06
Rot. Bonds2

About (4R)-4-benzyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one

(4R)-4-benzyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one (PubChem CID 11242880) has the molecular formula C18H15NO2 and a molecular weight of 277.32 g/mol. Its IUPAC name is (4R)-4-benzyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-benzyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one
PubChem CID11242880
Molecular FormulaC18H15NO2
Molecular Weight277.32 g/mol
Exact Mass277.11
IUPAC Name(4R)-4-benzyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one
SMILESO=C1OC[C@@H](Cc2ccccc2)N1C#Cc1ccccc1
InChIInChI=1S/C18H15NO2/c20-18-19(12-11-15-7-3-1-4-8-15)17(14-21-18)13-16-9-5-2-6-10-16/h1-10,17H,13-14H2/t17-/m1/s1
InChIKeyCEDCENOJSBATAK-QGZVFWFLSA-N
XLogP3.06
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-benzyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one?
The IUPAC name of (4R)-4-benzyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one (CID 11242880) is (4R)-4-benzyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for (4R)-4-benzyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one?
The canonical SMILES for (4R)-4-benzyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one is O=C1OC[C@@H](Cc2ccccc2)N1C#Cc1ccccc1.
What is the InChIKey of (4R)-4-benzyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one?
The InChIKey is CEDCENOJSBATAK-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H15NO2/c20-18-19(12-11-15-7-3-1-4-8-15)17(14-21-18)13-16-9-5-2-6-10-16/h1-10,17H,13-14H2/t17-/m1/s1.
What are the key properties of (4R)-4-benzyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one?
(4R)-4-benzyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one has a molecular weight of 277.32 g/mol, XLogP of 3.06, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-benzyl-3-(2-phenylethynyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 11242880), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).