3-benzoyl-1,3-oxazolidin-4-one

C10H9NO3 — CID 70346533

IUPAC3-benzoyl-1,3-oxazolidin-4-one
SMILESO=C1COCN1C(=O)c1ccccc1
InChIInChI=1S/C10H9NO3/c12-9-6-14-7-11(9)10(13)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyDZHUVHMTOFICBR-UHFFFAOYSA-N
MW191.19 g/mol
LogP0.64
Rot. Bonds1

About 3-benzoyl-1,3-oxazolidin-4-one

3-benzoyl-1,3-oxazolidin-4-one (PubChem CID 70346533) has the molecular formula C10H9NO3 and a molecular weight of 191.19 g/mol. Its IUPAC name is 3-benzoyl-1,3-oxazolidin-4-one.

Molecular Properties

Compound Name3-benzoyl-1,3-oxazolidin-4-one
PubChem CID70346533
Molecular FormulaC10H9NO3
Molecular Weight191.19 g/mol
Exact Mass191.06
IUPAC Name3-benzoyl-1,3-oxazolidin-4-one
SMILESO=C1COCN1C(=O)c1ccccc1
InChIInChI=1S/C10H9NO3/c12-9-6-14-7-11(9)10(13)8-4-2-1-3-5-8/h1-5H,6-7H2
InChIKeyDZHUVHMTOFICBR-UHFFFAOYSA-N
XLogP0.64
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500191.19
LogP ≤ 50.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-benzoyl-1,3-oxazolidine-2,5-dione
CID 149463581
(5aR,9aS)-4-benzoyl-5a,6,7,8,9,9a-hexahydro-5H-benzo[f][1,4]oxazepin-3-one
CID 10333493
(3-benzoyl-2-methylidene-1,3-diazinan-1-yl)-phenylmethanone
CID 101497128
4-amino-1-benzoylpyrrolidin-2-one
CID 112534683
4-(benzenecarbonothioyl)morpholine-3,5-dione
CID 165356113
4-benzoyl-1-methyl-3H-quinoxalin-2-one
CID 110669540
1-benzoyl-4-(2-methylpropanoyl)piperazine-2,5-dione
CID 163786851
3-benzoyl-3-azabicyclo[4.1.0]heptan-4-one
CID 23466259
(5-benzoyl-1,4,5-oxadiazepan-4-yl)-phenylmethanone
CID 12845384
(5R)-3-benzoyl-5-phenyl-1,3-oxazolidin-2-one
CID 102481694
N-(3-oxomorpholin-4-yl)benzamide
CID 142776527
4-benzoylmorpholine-2,6-dione
CID 53273549

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-1,3-oxazolidin-4-one?
The IUPAC name of 3-benzoyl-1,3-oxazolidin-4-one (CID 70346533) is 3-benzoyl-1,3-oxazolidin-4-one.
What is the SMILES notation for 3-benzoyl-1,3-oxazolidin-4-one?
The canonical SMILES for 3-benzoyl-1,3-oxazolidin-4-one is O=C1COCN1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-1,3-oxazolidin-4-one?
The InChIKey is DZHUVHMTOFICBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9NO3/c12-9-6-14-7-11(9)10(13)8-4-2-1-3-5-8/h1-5H,6-7H2.
What are the key properties of 3-benzoyl-1,3-oxazolidin-4-one?
3-benzoyl-1,3-oxazolidin-4-one has a molecular weight of 191.19 g/mol, XLogP of 0.64, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-1,3-oxazolidin-4-one is sourced from PubChem (CID 70346533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).