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'}

Analyze 4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(4R)-3-[[2-[[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]phenyl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 138601240
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
(4S)-3-[3-[2-[3-(4-methylphenyl)sulfonylprop-1-ynyl]phenyl]prop-2-ynyl]-4-phenyl-1,3-oxazolidin-2-one
CID 102052906
(4S)-3-[(3-methyl-1,2-oxazol-4-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 141303370
(4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one
CID 10420408
(4S)-3-[(2,5-dimethyl-1,2,4-triazol-3-yl)methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 72874900
tert-butyl 4-[[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]methyl]benzoate
CID 68742224
(4S)-4-phenyl-3-(3-pyridin-3-ylpropyl)-1,3-oxazolidin-2-one
CID 72911799
(2R)-2-[(4R)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]-2-phenylacetic acid
CID 134870683
3-[[3-(2-methoxyethyl)-1,2,4-oxadiazol-5-yl]methyl]-4-phenyl-1,3-oxazolidin-2-one
CID 156607205
N-[1-[2-[(4S)-2-oxo-4-phenyl-1,3-oxazolidin-3-yl]acetyl]pyrrolidin-2-yl]formamide
CID 174783029
3-(3-methylbutanoyl)-4-phenyl-1,3-oxazolidin-2-one
CID 67991997

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).