3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5-diethylimidazolidine-2,4-dione

C13H19N3O3 — CID 71937200

IUPAC3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(Cc2nc(C)c(C)o2)C1=O
InChIInChI=1S/C13H19N3O3/c1-5-13(6-2)11(17)16(12(18)15-13)7-10-14-8(3)9(4)19-10/h5-7H2,1-4H3,(H,15,18)
InChIKeyGVEMRJBHPXOZQE-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.90
Rot. Bonds4

About 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5-diethylimidazolidine-2,4-dione

3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5-diethylimidazolidine-2,4-dione (PubChem CID 71937200) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5-diethylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5-diethylimidazolidine-2,4-dione
PubChem CID71937200
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5-diethylimidazolidine-2,4-dione
SMILESCCC1(CC)NC(=O)N(Cc2nc(C)c(C)o2)C1=O
InChIInChI=1S/C13H19N3O3/c1-5-13(6-2)11(17)16(12(18)15-13)7-10-14-8(3)9(4)19-10/h5-7H2,1-4H3,(H,15,18)
InChIKeyGVEMRJBHPXOZQE-UHFFFAOYSA-N
XLogP1.90
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5-diethylimidazolidine-2,4-dione?
The IUPAC name of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5-diethylimidazolidine-2,4-dione (CID 71937200) is 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5-diethylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5-diethylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5-diethylimidazolidine-2,4-dione is CCC1(CC)NC(=O)N(Cc2nc(C)c(C)o2)C1=O.
What is the InChIKey of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5-diethylimidazolidine-2,4-dione?
The InChIKey is GVEMRJBHPXOZQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-5-13(6-2)11(17)16(12(18)15-13)7-10-14-8(3)9(4)19-10/h5-7H2,1-4H3,(H,15,18).
What are the key properties of 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5-diethylimidazolidine-2,4-dione?
3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5-diethylimidazolidine-2,4-dione has a molecular weight of 265.31 g/mol, XLogP of 1.90, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-5,5-diethylimidazolidine-2,4-dione is sourced from PubChem (CID 71937200), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).