4-hydroxy-1,5-dimethyl-3-[5-(2-methylbut-3-en-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one

C13H19N3O3 — CID 20560734

IUPAC4-hydroxy-1,5-dimethyl-3-[5-(2-methylbut-3-en-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one
SMILESC=CC(C)(C)c1cc(N2C(=O)N(C)C(C)C2O)no1
InChIInChI=1S/C13H19N3O3/c1-6-13(3,4)9-7-10(14-19-9)16-11(17)8(2)15(5)12(16)18/h6-8,11,17H,1H2,2-5H3
InChIKeyOUFKPKOKTHXQIG-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.72
Rot. Bonds3

About 4-hydroxy-1,5-dimethyl-3-[5-(2-methylbut-3-en-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one

4-hydroxy-1,5-dimethyl-3-[5-(2-methylbut-3-en-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one (PubChem CID 20560734) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-hydroxy-1,5-dimethyl-3-[5-(2-methylbut-3-en-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one.

Molecular Properties

Compound Name4-hydroxy-1,5-dimethyl-3-[5-(2-methylbut-3-en-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one
PubChem CID20560734
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-hydroxy-1,5-dimethyl-3-[5-(2-methylbut-3-en-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one
SMILESC=CC(C)(C)c1cc(N2C(=O)N(C)C(C)C2O)no1
InChIInChI=1S/C13H19N3O3/c1-6-13(3,4)9-7-10(14-19-9)16-11(17)8(2)15(5)12(16)18/h6-8,11,17H,1H2,2-5H3
InChIKeyOUFKPKOKTHXQIG-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 4-hydroxy-1,5-dimethyl-3-[5-(2-methylbut-3-en-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one?
The IUPAC name of 4-hydroxy-1,5-dimethyl-3-[5-(2-methylbut-3-en-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one (CID 20560734) is 4-hydroxy-1,5-dimethyl-3-[5-(2-methylbut-3-en-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one.
What is the SMILES notation for 4-hydroxy-1,5-dimethyl-3-[5-(2-methylbut-3-en-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one?
The canonical SMILES for 4-hydroxy-1,5-dimethyl-3-[5-(2-methylbut-3-en-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one is C=CC(C)(C)c1cc(N2C(=O)N(C)C(C)C2O)no1.
What is the InChIKey of 4-hydroxy-1,5-dimethyl-3-[5-(2-methylbut-3-en-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one?
The InChIKey is OUFKPKOKTHXQIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-6-13(3,4)9-7-10(14-19-9)16-11(17)8(2)15(5)12(16)18/h6-8,11,17H,1H2,2-5H3.
What are the key properties of 4-hydroxy-1,5-dimethyl-3-[5-(2-methylbut-3-en-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one?
4-hydroxy-1,5-dimethyl-3-[5-(2-methylbut-3-en-2-yl)-1,2-oxazol-3-yl]imidazolidin-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 4-hydroxy-1,5-dimethyl-3-[5-(2-methylbut-3-en-2-yl)-1,2-oxazol-3-yl]imidazolidin-2-one is sourced from PubChem (CID 20560734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).