5-[4-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione

C26H27N5O4 — CID 134494385

About 5-[4-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione

5-[4-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione (PubChem CID 134494385) has the molecular formula C26H27N5O4 and a molecular weight of 473.53 g/mol. Its IUPAC name is 5-[4-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione.

Molecular Properties

• Compound Name: 5-[4-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
• PubChem CID: 134494385
• Molecular Formula: C26H27N5O4
• Molecular Weight: 473.53 g/mol
• Exact Mass: 473.21
• IUPAC Name: 5-[4-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione
• SMILES: Cc1ccc(-c2nnc(C3CCN(C(=O)c4ccc(C5(C)NC(=O)NC5=O)cc4)CC3)o2)c(C)c1
• InChI: InChI=1S/C26H27N5O4/c1-15-4-9-20(16(2)14-15)22-30-29-21(35-22)17-10-12-31(13-11-17)23(32)18-5-7-19(8-6-18)26(3)24(33)27-25(34)28-26/h4-9,14,17H,10-13H2,1-3H3,(H2,27,28,33,34)
• InChIKey: AXQFFPSVNBZGSQ-UHFFFAOYSA-N
• XLogP: 3.43
• TPSA: 117.43 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.53
LogP ≤ 5	3.43
H-Bond Donors ≤ 5	2
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-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?

The IUPAC name of 5-[4-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione (CID 134494385) is 5-[4-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione.

What is the SMILES notation for 5-[4-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?

The canonical SMILES for 5-[4-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione is Cc1ccc(-c2nnc(C3CCN(C(=O)c4ccc(C5(C)NC(=O)NC5=O)cc4)CC3)o2)c(C)c1.

What is the InChIKey of 5-[4-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?

The InChIKey is AXQFFPSVNBZGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O4/c1-15-4-9-20(16(2)14-15)22-30-29-21(35-22)17-10-12-31(13-11-17)23(32)18-5-7-19(8-6-18)26(3)24(33)27-25(34)28-26/h4-9,14,17H,10-13H2,1-3H3,(H2,27,28,33,34).

What are the key properties of 5-[4-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione?

5-[4-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione has a molecular weight of 473.53 g/mol, XLogP of 3.43, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[4-[4-[5-(2,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]piperidine-1-carbonyl]phenyl]-5-methylimidazolidine-2,4-dione is sourced from PubChem (CID 134494385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).