2-[4-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol

C24H38N6O2 — CID 75131741

About 2-[4-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol

2-[4-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol (PubChem CID 75131741) has the molecular formula C24H38N6O2 and a molecular weight of 442.61 g/mol. Its IUPAC name is 2-[4-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol.

Molecular Properties

• Compound Name: 2-[4-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol
• PubChem CID: 75131741
• Molecular Formula: C24H38N6O2
• Molecular Weight: 442.61 g/mol
• Exact Mass: 442.31
• IUPAC Name: 2-[4-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol
• SMILES: CC1=CC(CN2CCN(CCO)CC2)C(C(C)C)CC1Cc1nnc(-c2cncn2C)o1
• InChI: InChI=1S/C24H38N6O2/c1-17(2)21-12-19(13-23-26-27-24(32-23)22-14-25-16-28(22)4)18(3)11-20(21)15-30-7-5-29(6-8-30)9-10-31/h11,14,16-17,19-21,31H,5-10,12-13,15H2,1-4H3
• InChIKey: CRKANTHHUDYECC-UHFFFAOYSA-N
• XLogP: 2.48
• TPSA: 83.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	442.61
LogP ≤ 5	2.48
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol?

The IUPAC name of 2-[4-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol (CID 75131741) is 2-[4-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol.

What is the SMILES notation for 2-[4-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol?

The canonical SMILES for 2-[4-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol is CC1=CC(CN2CCN(CCO)CC2)C(C(C)C)CC1Cc1nnc(-c2cncn2C)o1.

What is the InChIKey of 2-[4-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol?

The InChIKey is CRKANTHHUDYECC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H38N6O2/c1-17(2)21-12-19(13-23-26-27-24(32-23)22-14-25-16-28(22)4)18(3)11-20(21)15-30-7-5-29(6-8-30)9-10-31/h11,14,16-17,19-21,31H,5-10,12-13,15H2,1-4H3.

What are the key properties of 2-[4-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol?

2-[4-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol has a molecular weight of 442.61 g/mol, XLogP of 2.48, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[4-[[3-methyl-4-[[5-(3-methylimidazol-4-yl)-1,3,4-oxadiazol-2-yl]methyl]-6-propan-2-ylcyclohex-2-en-1-yl]methyl]piperazin-1-yl]ethanol is sourced from PubChem (CID 75131741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).