3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one

C16H19NO3 — CID 569780

IUPAC3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one
SMILESC=CC1C(=O)OC(C(C)(C)C)N1C(=O)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-5-12-14(19)20-15(16(2,3)4)17(12)13(18)11-9-7-6-8-10-11/h5-10,12,15H,1H2,2-4H3
InChIKeyIBGZGPFVNBVWLI-UHFFFAOYSA-N
MW273.33 g/mol
LogP2.61
Rot. Bonds2

About 3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one

3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one (PubChem CID 569780) has the molecular formula C16H19NO3 and a molecular weight of 273.33 g/mol. Its IUPAC name is 3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one.

Molecular Properties

Compound Name3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one
PubChem CID569780
Molecular FormulaC16H19NO3
Molecular Weight273.33 g/mol
Exact Mass273.14
IUPAC Name3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one
SMILESC=CC1C(=O)OC(C(C)(C)C)N1C(=O)c1ccccc1
InChIInChI=1S/C16H19NO3/c1-5-12-14(19)20-15(16(2,3)4)17(12)13(18)11-9-7-6-8-10-11/h5-10,12,15H,1H2,2-4H3
InChIKeyIBGZGPFVNBVWLI-UHFFFAOYSA-N
XLogP2.61
TPSA46.61 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.33
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(2S,4R)-3-benzoyl-2-tert-butyl-4-(2-methylpropyl)-1,3-oxazolidin-5-one
CID 15172348
benzyl 4-ethenyl-2-methyl-5-oxo-1,3-oxazolidine-3-carboxylate
CID 22400746
3-benzoyl-4-methyl-2-propan-2-yl-1,3-oxazolidin-5-one
CID 85435435
(6,9-dibenzoyl-3,6,9-triazatetracyclo[6.1.0.02,4.05,7]nonan-3-yl)-phenylmethanone
CID 12599630
1-benzoyl-2-tert-butyl-3-methyl-5-propan-2-ylimidazolidin-4-one
CID 13491013
(4S,5S)-1,3-dibenzoyl-4,5-bis(ethenyl)imidazolidin-2-one
CID 134942845
(4S)-3-benzoyl-4-tert-butyl-1,3-oxazolidin-2-one
CID 10988617
(2R,4S)-3-benzoyl-2-phenyl-4-propan-2-yl-1,3-oxazolidin-5-one
CID 7098741
(2S,5R)-1-benzoyl-5-benzyl-2-tert-butyl-3-methylimidazolidin-4-one
CID 91703996
3,3-dimethyl-1-phenylpent-4-en-1-one
CID 14397690
(2R,4R)-3-benzoyl-2-tert-butyl-6-oxo-1,3-diazinane-4-carboxylic acid
CID 98176413
1-benzoyl-2-tert-butyl-3-methyl-5-(2-methylsulfanylethyl)imidazolidin-4-one
CID 571299

Frequently Asked Questions

What is the IUPAC name of 3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one?
The IUPAC name of 3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one (CID 569780) is 3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one.
What is the SMILES notation for 3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one?
The canonical SMILES for 3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one is C=CC1C(=O)OC(C(C)(C)C)N1C(=O)c1ccccc1.
What is the InChIKey of 3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one?
The InChIKey is IBGZGPFVNBVWLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19NO3/c1-5-12-14(19)20-15(16(2,3)4)17(12)13(18)11-9-7-6-8-10-11/h5-10,12,15H,1H2,2-4H3.
What are the key properties of 3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one?
3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one has a molecular weight of 273.33 g/mol, XLogP of 2.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-benzoyl-2-tert-butyl-4-ethenyl-1,3-oxazolidin-5-one is sourced from PubChem (CID 569780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).