3-(2-phenylethynyl)-1,3-oxazolidin-2-one

C11H9NO2 — CID 23629254

IUPAC3-(2-phenylethynyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C#Cc1ccccc1
InChIInChI=1S/C11H9NO2/c13-11-12(8-9-14-11)7-6-10-4-2-1-3-5-10/h1-5H,8-9H2
InChIKeyGBUSLWYYBBBMGC-UHFFFAOYSA-N
MW187.20 g/mol
LogP1.45
Rot. Bonds

About 3-(2-phenylethynyl)-1,3-oxazolidin-2-one

3-(2-phenylethynyl)-1,3-oxazolidin-2-one (PubChem CID 23629254) has the molecular formula C11H9NO2 and a molecular weight of 187.20 g/mol. Its IUPAC name is 3-(2-phenylethynyl)-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-(2-phenylethynyl)-1,3-oxazolidin-2-one
PubChem CID23629254
Molecular FormulaC11H9NO2
Molecular Weight187.20 g/mol
Exact Mass187.06
IUPAC Name3-(2-phenylethynyl)-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C#Cc1ccccc1
InChIInChI=1S/C11H9NO2/c13-11-12(8-9-14-11)7-6-10-4-2-1-3-5-10/h1-5H,8-9H2
InChIKeyGBUSLWYYBBBMGC-UHFFFAOYSA-N
XLogP1.45
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.20
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-[(E)-3-(2-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 10657387
3-[2-(4-Fluorophenyl)ethynyl]-1,3-oxazolidin-2-one
CID 56946461
3-[(E)-3-(4-fluorophenyl)prop-2-enoyl]-1,3-oxazolidin-2-one
CID 92020209
3-Cinnamoyloxazolidin-2-one
CID 677095
1-(4-Morpholinyl)-3-phenyl-2-propyn-1-one
CID 3841931
3-Benzyl-1,3-oxazolidin-2-one
CID 10487528
3-(3-Phenylprop-2-yn-1-yl)-1,3-oxazolidine
CID 129872259
5-Methyl-3-(3-phenylprop-2-yn-1-yl)-1,3-oxazolidine
CID 129872405
3-Benzyl-5-fluoro-1,3-oxazolidin-2-one
CID 23656676
3-[(E)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 122391411
3-[(Z)-1-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132965775
3-[(Z)-2-fluoro-2-phenylethenyl]-1,3-oxazolidin-2-one
CID 132969632

Frequently Asked Questions

What is the IUPAC name of 3-(2-phenylethynyl)-1,3-oxazolidin-2-one?
The IUPAC name of 3-(2-phenylethynyl)-1,3-oxazolidin-2-one (CID 23629254) is 3-(2-phenylethynyl)-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-(2-phenylethynyl)-1,3-oxazolidin-2-one?
The canonical SMILES for 3-(2-phenylethynyl)-1,3-oxazolidin-2-one is O=C1OCCN1C#Cc1ccccc1.
What is the InChIKey of 3-(2-phenylethynyl)-1,3-oxazolidin-2-one?
The InChIKey is GBUSLWYYBBBMGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9NO2/c13-11-12(8-9-14-11)7-6-10-4-2-1-3-5-10/h1-5H,8-9H2.
What are the key properties of 3-(2-phenylethynyl)-1,3-oxazolidin-2-one?
3-(2-phenylethynyl)-1,3-oxazolidin-2-one has a molecular weight of 187.20 g/mol, XLogP of 1.45, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-phenylethynyl)-1,3-oxazolidin-2-one is sourced from PubChem (CID 23629254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).