4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one

C12H11NO2 — CID 73115367

IUPAC4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
SMILESC#CCN1C(=O)OCC1c1ccccc1
InChIInChI=1S/C12H11NO2/c1-2-8-13-11(9-15-12(13)14)10-6-4-3-5-7-10/h1,3-7,11H,8-9H2
InChIKeyDJNAYVHHVQKIIF-UHFFFAOYSA-N
MW201.23 g/mol
LogP1.81
Rot. Bonds2

About 4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one

4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one (PubChem CID 73115367) has the molecular formula C12H11NO2 and a molecular weight of 201.23 g/mol. Its IUPAC name is 4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
PubChem CID73115367
Molecular FormulaC12H11NO2
Molecular Weight201.23 g/mol
Exact Mass201.08
IUPAC Name4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
SMILESC#CCN1C(=O)OCC1c1ccccc1
InChIInChI=1S/C12H11NO2/c1-2-8-13-11(9-15-12(13)14)10-6-4-3-5-7-10/h1,3-7,11H,8-9H2
InChIKeyDJNAYVHHVQKIIF-UHFFFAOYSA-N
XLogP1.81
TPSA29.54 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.23
LogP ≤ 51.81
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 4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one?
The IUPAC name of 4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one (CID 73115367) is 4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one.
What is the SMILES notation for 4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one?
The canonical SMILES for 4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one is C#CCN1C(=O)OCC1c1ccccc1.
What is the InChIKey of 4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one?
The InChIKey is DJNAYVHHVQKIIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11NO2/c1-2-8-13-11(9-15-12(13)14)10-6-4-3-5-7-10/h1,3-7,11H,8-9H2.
What are the key properties of 4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one?
4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one has a molecular weight of 201.23 g/mol, XLogP of 1.81, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 73115367), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).