1-(5-tert-butyl-1,2-oxazol-3-yl)-3-prop-2-enylimidazolidin-2-one

C13H19N3O2 — CID 13489619

IUPAC1-(5-tert-butyl-1,2-oxazol-3-yl)-3-prop-2-enylimidazolidin-2-one
SMILESC=CCN1CCN(c2cc(C(C)(C)C)on2)C1=O
InChIInChI=1S/C13H19N3O2/c1-5-6-15-7-8-16(12(15)17)11-9-10(18-14-11)13(2,3)4/h5,9H,1,6-8H2,2-4H3
InChIKeyYPHRRMZIGLHYJL-UHFFFAOYSA-N
MW249.31 g/mol
LogP2.40
Rot. Bonds3

About 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-prop-2-enylimidazolidin-2-one

1-(5-tert-butyl-1,2-oxazol-3-yl)-3-prop-2-enylimidazolidin-2-one (PubChem CID 13489619) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-prop-2-enylimidazolidin-2-one.

Molecular Properties

Compound Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-prop-2-enylimidazolidin-2-one
PubChem CID13489619
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name1-(5-tert-butyl-1,2-oxazol-3-yl)-3-prop-2-enylimidazolidin-2-one
SMILESC=CCN1CCN(c2cc(C(C)(C)C)on2)C1=O
InChIInChI=1S/C13H19N3O2/c1-5-6-15-7-8-16(12(15)17)11-9-10(18-14-11)13(2,3)4/h5,9H,1,6-8H2,2-4H3
InChIKeyYPHRRMZIGLHYJL-UHFFFAOYSA-N
XLogP2.40
TPSA49.58 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-prop-2-enylimidazolidin-2-one?
The IUPAC name of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-prop-2-enylimidazolidin-2-one (CID 13489619) is 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-prop-2-enylimidazolidin-2-one.
What is the SMILES notation for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-prop-2-enylimidazolidin-2-one?
The canonical SMILES for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-prop-2-enylimidazolidin-2-one is C=CCN1CCN(c2cc(C(C)(C)C)on2)C1=O.
What is the InChIKey of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-prop-2-enylimidazolidin-2-one?
The InChIKey is YPHRRMZIGLHYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-5-6-15-7-8-16(12(15)17)11-9-10(18-14-11)13(2,3)4/h5,9H,1,6-8H2,2-4H3.
What are the key properties of 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-prop-2-enylimidazolidin-2-one?
1-(5-tert-butyl-1,2-oxazol-3-yl)-3-prop-2-enylimidazolidin-2-one has a molecular weight of 249.31 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-tert-butyl-1,2-oxazol-3-yl)-3-prop-2-enylimidazolidin-2-one is sourced from PubChem (CID 13489619), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).