3-[2-(2-chlorophenyl)ethynyl]-1,3-oxazolidin-2-one

C11H8ClNO2 — CID 102522223

IUPAC3-[2-(2-chlorophenyl)ethynyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C#Cc1ccccc1Cl
InChIInChI=1S/C11H8ClNO2/c12-10-4-2-1-3-9(10)5-6-13-7-8-15-11(13)14/h1-4H,7-8H2
InChIKeyPLLOQNPDUIGIFP-UHFFFAOYSA-N
MW221.64 g/mol
LogP2.10
Rot. Bonds

About 3-[2-(2-chlorophenyl)ethynyl]-1,3-oxazolidin-2-one

3-[2-(2-chlorophenyl)ethynyl]-1,3-oxazolidin-2-one (PubChem CID 102522223) has the molecular formula C11H8ClNO2 and a molecular weight of 221.64 g/mol. Its IUPAC name is 3-[2-(2-chlorophenyl)ethynyl]-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name3-[2-(2-chlorophenyl)ethynyl]-1,3-oxazolidin-2-one
PubChem CID102522223
Molecular FormulaC11H8ClNO2
Molecular Weight221.64 g/mol
Exact Mass221.02
IUPAC Name3-[2-(2-chlorophenyl)ethynyl]-1,3-oxazolidin-2-one
SMILESO=C1OCCN1C#Cc1ccccc1Cl
InChIInChI=1S/C11H8ClNO2/c12-10-4-2-1-3-9(10)5-6-13-7-8-15-11(13)14/h1-4H,7-8H2
InChIKeyPLLOQNPDUIGIFP-UHFFFAOYSA-N
XLogP2.10
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.64
LogP ≤ 52.10
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-(2-pyridin-3-ylethynyl)-1,3-oxazolidin-2-one
CID 69085657
3-[2-(3-methoxyphenyl)ethynyl]-1,3-oxazolidin-2-one
CID 102450789
3-(2,6-dichlorophenyl)-1,3-oxazolidin-2-one
CID 14120198
3-but-1-ynyl-1,3-oxazolidin-2-one
CID 19909896
2-(2-chlorophenyl)ethynesulfonyl chloride
CID 117265331
3-(3-phenylprop-2-ynoyl)-1,3-oxazolidin-2-one
CID 10560618
2-[2-(2-chlorophenyl)ethynyl]-1,3-thiazole-5-carboxylic acid
CID 67110581
3-[2-[(2-chlorophenyl)methyl-methylamino]ethyl]-1,3-oxazolidin-2-one
CID 134018841
2-chloro-N-[2-(2-oxo-1,3-oxazolidin-3-yl)ethyl]benzamide
CID 110707207
3-[1-[2-(2-chlorophenyl)acetyl]pyrrolidin-3-yl]-1,3-oxazolidin-2-one
CID 126853836
2-chloro-6-[(2-oxo-1,3-oxazolidin-3-yl)methyl]benzenesulfonyl chloride
CID 22151120
2-chloro-N-[3-(2-oxo-1,3-oxazolidin-3-yl)propyl]benzenesulfonamide
CID 110719354

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2-chlorophenyl)ethynyl]-1,3-oxazolidin-2-one?
The IUPAC name of 3-[2-(2-chlorophenyl)ethynyl]-1,3-oxazolidin-2-one (CID 102522223) is 3-[2-(2-chlorophenyl)ethynyl]-1,3-oxazolidin-2-one.
What is the SMILES notation for 3-[2-(2-chlorophenyl)ethynyl]-1,3-oxazolidin-2-one?
The canonical SMILES for 3-[2-(2-chlorophenyl)ethynyl]-1,3-oxazolidin-2-one is O=C1OCCN1C#Cc1ccccc1Cl.
What is the InChIKey of 3-[2-(2-chlorophenyl)ethynyl]-1,3-oxazolidin-2-one?
The InChIKey is PLLOQNPDUIGIFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8ClNO2/c12-10-4-2-1-3-9(10)5-6-13-7-8-15-11(13)14/h1-4H,7-8H2.
What are the key properties of 3-[2-(2-chlorophenyl)ethynyl]-1,3-oxazolidin-2-one?
3-[2-(2-chlorophenyl)ethynyl]-1,3-oxazolidin-2-one has a molecular weight of 221.64 g/mol, XLogP of 2.10, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2-chlorophenyl)ethynyl]-1,3-oxazolidin-2-one is sourced from PubChem (CID 102522223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).