1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione

C11H13N3O4 — CID 47122051

IUPAC1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCc1cc(CN2C(=O)C(=O)N(C(C)C)C2=O)on1
InChIInChI=1S/C11H13N3O4/c1-6(2)14-10(16)9(15)13(11(14)17)5-8-4-7(3)12-18-8/h4,6H,5H2,1-3H3
InChIKeyTTYGAWAUQIXGBE-UHFFFAOYSA-N
MW251.24 g/mol
LogP0.68
Rot. Bonds3

About 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione

1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione (PubChem CID 47122051) has the molecular formula C11H13N3O4 and a molecular weight of 251.24 g/mol. Its IUPAC name is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
PubChem CID47122051
Molecular FormulaC11H13N3O4
Molecular Weight251.24 g/mol
Exact Mass251.09
IUPAC Name1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione
SMILESCc1cc(CN2C(=O)C(=O)N(C(C)C)C2=O)on1
InChIInChI=1S/C11H13N3O4/c1-6(2)14-10(16)9(15)13(11(14)17)5-8-4-7(3)12-18-8/h4,6H,5H2,1-3H3
InChIKeyTTYGAWAUQIXGBE-UHFFFAOYSA-N
XLogP0.68
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.24
LogP ≤ 50.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The IUPAC name of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione (CID 47122051) is 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione.
What is the SMILES notation for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The canonical SMILES for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione is Cc1cc(CN2C(=O)C(=O)N(C(C)C)C2=O)on1.
What is the InChIKey of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
The InChIKey is TTYGAWAUQIXGBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O4/c1-6(2)14-10(16)9(15)13(11(14)17)5-8-4-7(3)12-18-8/h4,6H,5H2,1-3H3.
What are the key properties of 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione?
1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione has a molecular weight of 251.24 g/mol, XLogP of 0.68, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-methyl-1,2-oxazol-5-yl)methyl]-3-propan-2-ylimidazolidine-2,4,5-trione is sourced from PubChem (CID 47122051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).