1-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione

C12H9N3O4S — CID 17407840

IUPAC1-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(Cc2cc(-c3cccs3)on2)C1=O
InChIInChI=1S/C12H9N3O4S/c1-14-10(16)11(17)15(12(14)18)6-7-5-8(19-13-7)9-3-2-4-20-9/h2-5H,6H2,1H3
InChIKeyGSULZJGTRKXKNR-UHFFFAOYSA-N
MW291.29 g/mol
LogP1.32
Rot. Bonds3

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

1-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione (PubChem CID 17407840) has the molecular formula C12H9N3O4S and a molecular weight of 291.29 g/mol. Its IUPAC name is 1-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione.

Molecular Properties

Compound Name1-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione
PubChem CID17407840
Molecular FormulaC12H9N3O4S
Molecular Weight291.29 g/mol
Exact Mass291.03
IUPAC Name1-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione
SMILESCN1C(=O)C(=O)N(Cc2cc(-c3cccs3)on2)C1=O
InChIInChI=1S/C12H9N3O4S/c1-14-10(16)11(17)15(12(14)18)6-7-5-8(19-13-7)9-3-2-4-20-9/h2-5H,6H2,1H3
InChIKeyGSULZJGTRKXKNR-UHFFFAOYSA-N
XLogP1.32
TPSA83.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.29
LogP ≤ 51.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione?
The IUPAC name of 1-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione (CID 17407840) is 1-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione.
What is the SMILES notation for 1-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione?
The canonical SMILES for 1-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione is CN1C(=O)C(=O)N(Cc2cc(-c3cccs3)on2)C1=O.
What is the InChIKey of 1-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione?
The InChIKey is GSULZJGTRKXKNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9N3O4S/c1-14-10(16)11(17)15(12(14)18)6-7-5-8(19-13-7)9-3-2-4-20-9/h2-5H,6H2,1H3.
What are the key properties of 1-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione?
1-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione has a molecular weight of 291.29 g/mol, XLogP of 1.32, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl]imidazolidine-2,4,5-trione is sourced from PubChem (CID 17407840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).