5-[[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethylanilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

C34H39N5O5 — CID 166996864

About 5-[[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethylanilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione

5-[[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethylanilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (PubChem CID 166996864) has the molecular formula C34H39N5O5 and a molecular weight of 597.72 g/mol. Its IUPAC name is 5-[[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethylanilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

Molecular Properties

• Compound Name: 5-[[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethylanilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• PubChem CID: 166996864
• Molecular Formula: C34H39N5O5
• Molecular Weight: 597.72 g/mol
• Exact Mass: 597.30
• IUPAC Name: 5-[[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethylanilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione
• SMILES: Cc1ccc(-c2c(C)noc2C)cc1N(C)CC1CCC(CNc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1
• InChI: InChI=1S/C34H39N5O5/c1-19-5-10-24(31-20(2)37-44-21(31)3)15-29(19)38(4)18-23-8-6-22(7-9-23)17-35-25-11-12-26-27(16-25)34(43)39(33(26)42)28-13-14-30(40)36-32(28)41/h5,10-12,15-16,22-23,28,35H,6-9,13-14,17-18H2,1-4H3,(H,36,40,41)
• InChIKey: PGNYQGILTOCCGB-UHFFFAOYSA-N
• XLogP: 5.02
• TPSA: 124.85 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 44
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	597.72
LogP ≤ 5	5.02
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethylanilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The IUPAC name of 5-[[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethylanilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione (CID 166996864) is 5-[[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethylanilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione.

What is the SMILES notation for 5-[[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethylanilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The canonical SMILES for 5-[[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethylanilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is Cc1ccc(-c2c(C)noc2C)cc1N(C)CC1CCC(CNc2ccc3c(c2)C(=O)N(C2CCC(=O)NC2=O)C3=O)CC1.

What is the InChIKey of 5-[[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethylanilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

The InChIKey is PGNYQGILTOCCGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H39N5O5/c1-19-5-10-24(31-20(2)37-44-21(31)3)15-29(19)38(4)18-23-8-6-22(7-9-23)17-35-25-11-12-26-27(16-25)34(43)39(33(26)42)28-13-14-30(40)36-32(28)41/h5,10-12,15-16,22-23,28,35H,6-9,13-14,17-18H2,1-4H3,(H,36,40,41).

What are the key properties of 5-[[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethylanilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione?

5-[[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethylanilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione has a molecular weight of 597.72 g/mol, XLogP of 5.02, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[[4-[[5-(3,5-dimethyl-1,2-oxazol-4-yl)-N,2-dimethylanilino]methyl]cyclohexyl]methylamino]-2-(2,6-dioxopiperidin-3-yl)isoindole-1,3-dione is sourced from PubChem (CID 166996864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).