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

C22H23N3O3S — CID 24618777

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

5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione (PubChem CID 24618777) has the molecular formula C22H23N3O3S and a molecular weight of 409.51 g/mol. Its IUPAC name is 5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
• PubChem CID: 24618777
• Molecular Formula: C22H23N3O3S
• Molecular Weight: 409.51 g/mol
• Exact Mass: 409.15
• IUPAC Name: 5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione
• SMILES: Cc1oc(-c2cccs2)nc1CN1C(=O)NC(C)(c2ccc(C(C)C)cc2)C1=O
• InChI: InChI=1S/C22H23N3O3S/c1-13(2)15-7-9-16(10-8-15)22(4)20(26)25(21(27)24-22)12-17-14(3)28-19(23-17)18-6-5-11-29-18/h5-11,13H,12H2,1-4H3,(H,24,27)
• InChIKey: WOBQBDDJGOFHNN-UHFFFAOYSA-N
• XLogP: 4.80
• TPSA: 75.44 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	409.51
LogP ≤ 5	4.80
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?

The IUPAC name of 5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione (CID 24618777) is 5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione.

What is the SMILES notation for 5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?

The canonical SMILES for 5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione is Cc1oc(-c2cccs2)nc1CN1C(=O)NC(C)(c2ccc(C(C)C)cc2)C1=O.

What is the InChIKey of 5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?

The InChIKey is WOBQBDDJGOFHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3S/c1-13(2)15-7-9-16(10-8-15)22(4)20(26)25(21(27)24-22)12-17-14(3)28-19(23-17)18-6-5-11-29-18/h5-11,13H,12H2,1-4H3,(H,24,27).

What are the key properties of 5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione?

5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione has a molecular weight of 409.51 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-methyl-3-[(5-methyl-2-thiophen-2-yl-1,3-oxazol-4-yl)methyl]-5-(4-propan-2-ylphenyl)imidazolidine-2,4-dione is sourced from PubChem (CID 24618777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).