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

C12H17N3O3 — CID 18166074

IUPAC3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2c(C)noc2C)C1=O
InChIInChI=1S/C12H17N3O3/c1-4-5-10-11(16)15(12(17)13-10)6-9-7(2)14-18-8(9)3/h10H,4-6H2,1-3H3,(H,13,17)
InChIKeyVGCFMTIZVASPIH-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.51
Rot. Bonds4

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

3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione (PubChem CID 18166074) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione
PubChem CID18166074
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Name3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione
SMILESCCCC1NC(=O)N(Cc2c(C)noc2C)C1=O
InChIInChI=1S/C12H17N3O3/c1-4-5-10-11(16)15(12(17)13-10)6-9-7(2)14-18-8(9)3/h10H,4-6H2,1-3H3,(H,13,17)
InChIKeyVGCFMTIZVASPIH-UHFFFAOYSA-N
XLogP1.51
TPSA75.44 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.51
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-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione?
The IUPAC name of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione (CID 18166074) is 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione?
The canonical SMILES for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione is CCCC1NC(=O)N(Cc2c(C)noc2C)C1=O.
What is the InChIKey of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione?
The InChIKey is VGCFMTIZVASPIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-4-5-10-11(16)15(12(17)13-10)6-9-7(2)14-18-8(9)3/h10H,4-6H2,1-3H3,(H,13,17).
What are the key properties of 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione?
3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione has a molecular weight of 251.29 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]-5-propylimidazolidine-2,4-dione is sourced from PubChem (CID 18166074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).