3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-prop-2-enylimidazolidin-2-one

C13H19N3O3 — CID 20560633

IUPAC3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-prop-2-enylimidazolidin-2-one
SMILESC=CCN1CC(O)N(c2cc(C(C)(C)C)no2)C1=O
InChIInChI=1S/C13H19N3O3/c1-5-6-15-8-10(17)16(12(15)18)11-7-9(14-19-11)13(2,3)4/h5,7,10,17H,1,6,8H2,2-4H3
InChIKeyHJCVQZXNISKJGR-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.72
Rot. Bonds3

About 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-prop-2-enylimidazolidin-2-one

3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-prop-2-enylimidazolidin-2-one (PubChem CID 20560633) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-prop-2-enylimidazolidin-2-one.

Molecular Properties

Compound Name3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-prop-2-enylimidazolidin-2-one
PubChem CID20560633
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-prop-2-enylimidazolidin-2-one
SMILESC=CCN1CC(O)N(c2cc(C(C)(C)C)no2)C1=O
InChIInChI=1S/C13H19N3O3/c1-5-6-15-8-10(17)16(12(15)18)11-7-9(14-19-11)13(2,3)4/h5,7,10,17H,1,6,8H2,2-4H3
InChIKeyHJCVQZXNISKJGR-UHFFFAOYSA-N
XLogP1.72
TPSA69.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-prop-2-enylimidazolidin-2-one?
The IUPAC name of 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-prop-2-enylimidazolidin-2-one (CID 20560633) is 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-prop-2-enylimidazolidin-2-one.
What is the SMILES notation for 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-prop-2-enylimidazolidin-2-one?
The canonical SMILES for 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-prop-2-enylimidazolidin-2-one is C=CCN1CC(O)N(c2cc(C(C)(C)C)no2)C1=O.
What is the InChIKey of 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-prop-2-enylimidazolidin-2-one?
The InChIKey is HJCVQZXNISKJGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-5-6-15-8-10(17)16(12(15)18)11-7-9(14-19-11)13(2,3)4/h5,7,10,17H,1,6,8H2,2-4H3.
What are the key properties of 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-prop-2-enylimidazolidin-2-one?
3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-prop-2-enylimidazolidin-2-one has a molecular weight of 265.31 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-tert-butyl-1,2-oxazol-5-yl)-4-hydroxy-1-prop-2-enylimidazolidin-2-one is sourced from PubChem (CID 20560633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).