5-(4-tert-butylphenyl)-5-methyl-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione

C24H33N5O3 — CID 134008894

About 5-(4-tert-butylphenyl)-5-methyl-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione

5-(4-tert-butylphenyl)-5-methyl-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione (PubChem CID 134008894) has the molecular formula C24H33N5O3 and a molecular weight of 439.56 g/mol. Its IUPAC name is 5-(4-tert-butylphenyl)-5-methyl-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-(4-tert-butylphenyl)-5-methyl-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
• PubChem CID: 134008894
• Molecular Formula: C24H33N5O3
• Molecular Weight: 439.56 g/mol
• Exact Mass: 439.26
• IUPAC Name: 5-(4-tert-butylphenyl)-5-methyl-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione
• SMILES: Cc1cc(CN2CCN(CN3C(=O)NC(C)(c4ccc(C(C)(C)C)cc4)C3=O)CC2)on1
• InChI: InChI=1S/C24H33N5O3/c1-17-14-20(32-26-17)15-27-10-12-28(13-11-27)16-29-21(30)24(5,25-22(29)31)19-8-6-18(7-9-19)23(2,3)4/h6-9,14H,10-13,15-16H2,1-5H3,(H,25,31)
• InChIKey: SSQQJSCWPDBSBS-UHFFFAOYSA-N
• XLogP: 2.82
• TPSA: 81.92 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	439.56
LogP ≤ 5	2.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-(4-tert-butylphenyl)-5-methyl-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?

The IUPAC name of 5-(4-tert-butylphenyl)-5-methyl-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione (CID 134008894) is 5-(4-tert-butylphenyl)-5-methyl-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione.

What is the SMILES notation for 5-(4-tert-butylphenyl)-5-methyl-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?

The canonical SMILES for 5-(4-tert-butylphenyl)-5-methyl-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione is Cc1cc(CN2CCN(CN3C(=O)NC(C)(c4ccc(C(C)(C)C)cc4)C3=O)CC2)on1.

What is the InChIKey of 5-(4-tert-butylphenyl)-5-methyl-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?

The InChIKey is SSQQJSCWPDBSBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H33N5O3/c1-17-14-20(32-26-17)15-27-10-12-28(13-11-27)16-29-21(30)24(5,25-22(29)31)19-8-6-18(7-9-19)23(2,3)4/h6-9,14H,10-13,15-16H2,1-5H3,(H,25,31).

What are the key properties of 5-(4-tert-butylphenyl)-5-methyl-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione?

5-(4-tert-butylphenyl)-5-methyl-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione has a molecular weight of 439.56 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-(4-tert-butylphenyl)-5-methyl-3-[[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]methyl]imidazolidine-2,4-dione is sourced from PubChem (CID 134008894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).