(4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one

C11H9NO3 — CID 10420408

IUPAC(4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C=CN1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C11H9NO3/c13-7-6-12-10(8-15-11(12)14)9-4-2-1-3-5-9/h1-6,10H,8H2/t10-/m1/s1
InChIKeyCYCXFQWKZAIQIQ-SNVBAGLBSA-N
MW203.20 g/mol
LogP1.53
Rot. Bonds2

About (4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one

(4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one (PubChem CID 10420408) has the molecular formula C11H9NO3 and a molecular weight of 203.20 g/mol. Its IUPAC name is (4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one.

Molecular Properties

Compound Name(4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one
PubChem CID10420408
Molecular FormulaC11H9NO3
Molecular Weight203.20 g/mol
Exact Mass203.06
IUPAC Name(4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one
SMILESO=C=CN1C(=O)OC[C@@H]1c1ccccc1
InChIInChI=1S/C11H9NO3/c13-7-6-12-10(8-15-11(12)14)9-4-2-1-3-5-9/h1-6,10H,8H2/t10-/m1/s1
InChIKeyCYCXFQWKZAIQIQ-SNVBAGLBSA-N
XLogP1.53
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.20
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(4R)-4-phenyl-3-[(Z)-2-tri(propan-2-yl)silylethenyl]-1,3-oxazolidin-2-one
CID 11588253
(4R)-3-[(E)-3-hydroxybut-1-enyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10922425
4-phenyl-3-prop-2-ynyl-1,3-oxazolidin-2-one
CID 73115367
(4R)-4-phenyl-3-[(S)-trifluoromethylsulfinyl]-1,3-oxazolidin-2-one
CID 11425945
(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
(4R)-3-(2-cyclopentylideneacetyl)-4-phenyl-1,3-oxazolidin-2-one
CID 134866525
(4S)-3-[(4R)-6-(furan-2-yl)-4-triethylsilyloxyhexa-1,2-dienyl]-4-phenyl-1,3-oxazolidin-2-one
CID 101336946
3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 22912437
(4R)-3-[(E)-3-cyclopropylprop-2-enoyl]-4-phenyl-1,3-oxazolidin-2-one
CID 10848742
4-phenyl-3-piperazin-1-yl-1,3-oxazolidin-2-one
CID 22291162
(4S)-3-butyl-4-phenyl-1,3-oxazolidin-2-one
CID 134941159
(4R)-3-[(Z)-1,4-diphenylbut-1-en-3-yn-2-yl]-4-phenyl-1,3-oxazolidin-2-one
CID 122388165

Frequently Asked Questions

What is the IUPAC name of (4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one?
The IUPAC name of (4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one (CID 10420408) is (4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one.
What is the SMILES notation for (4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one?
The canonical SMILES for (4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one is O=C=CN1C(=O)OC[C@@H]1c1ccccc1.
What is the InChIKey of (4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one?
The InChIKey is CYCXFQWKZAIQIQ-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H9NO3/c13-7-6-12-10(8-15-11(12)14)9-4-2-1-3-5-9/h1-6,10H,8H2/t10-/m1/s1.
What are the key properties of (4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one?
(4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one has a molecular weight of 203.20 g/mol, XLogP of 1.53, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-3-(2-oxoethenyl)-4-phenyl-1,3-oxazolidin-2-one is sourced from PubChem (CID 10420408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).