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

C13H15N5O3 — CID 57422462

IUPAC3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)NC(C)C2=O)cn1
InChIInChI=1S/C13H15N5O3/c1-7-11(9(3)21-16-7)6-17-5-10(4-14-17)18-12(19)8(2)15-13(18)20/h4-5,8H,6H2,1-3H3,(H,15,20)
InChIKeyQYWSTNQQAIFIRS-UHFFFAOYSA-N
MW289.30 g/mol
LogP0.98
Rot. Bonds3

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

3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione (PubChem CID 57422462) has the molecular formula C13H15N5O3 and a molecular weight of 289.30 g/mol. Its IUPAC name is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione
PubChem CID57422462
Molecular FormulaC13H15N5O3
Molecular Weight289.30 g/mol
Exact Mass289.12
IUPAC Name3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione
SMILESCc1noc(C)c1Cn1cc(N2C(=O)NC(C)C2=O)cn1
InChIInChI=1S/C13H15N5O3/c1-7-11(9(3)21-16-7)6-17-5-10(4-14-17)18-12(19)8(2)15-13(18)20/h4-5,8H,6H2,1-3H3,(H,15,20)
InChIKeyQYWSTNQQAIFIRS-UHFFFAOYSA-N
XLogP0.98
TPSA93.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.30
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione?
The IUPAC name of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione (CID 57422462) is 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione.
What is the SMILES notation for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione?
The canonical SMILES for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione is Cc1noc(C)c1Cn1cc(N2C(=O)NC(C)C2=O)cn1.
What is the InChIKey of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione?
The InChIKey is QYWSTNQQAIFIRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O3/c1-7-11(9(3)21-16-7)6-17-5-10(4-14-17)18-12(19)8(2)15-13(18)20/h4-5,8H,6H2,1-3H3,(H,15,20).
What are the key properties of 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione?
3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione has a molecular weight of 289.30 g/mol, XLogP of 0.98, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(3,5-dimethyl-1,2-oxazol-4-yl)methyl]pyrazol-4-yl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 57422462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).