4-[5-[[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline

C29H45N5O2 — CID 75131675

About 4-[5-[[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline

4-[5-[[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline (PubChem CID 75131675) has the molecular formula C29H45N5O2 and a molecular weight of 495.71 g/mol. Its IUPAC name is 4-[5-[[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline.

Molecular Properties

• Compound Name: 4-[5-[[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
• PubChem CID: 75131675
• Molecular Formula: C29H45N5O2
• Molecular Weight: 495.71 g/mol
• Exact Mass: 495.36
• IUPAC Name: 4-[5-[[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline
• SMILES: COCCN1CCN(CC2C=C(C)C(Cc3nnc(-c4ccc(N(C)C)cc4)o3)CC2C(C)C)CC1
• InChI: InChI=1S/C29H45N5O2/c1-21(2)27-18-24(19-28-30-31-29(36-28)23-7-9-26(10-8-23)32(4)5)22(3)17-25(27)20-34-13-11-33(12-14-34)15-16-35-6/h7-10,17,21,24-25,27H,11-16,18-20H2,1-6H3
• InChIKey: HURYJAHEAFBEBS-UHFFFAOYSA-N
• XLogP: 4.46
• TPSA: 57.87 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 10
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	495.71
LogP ≤ 5	4.46
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Computed Properties (RDKit)

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

Frequently Asked Questions

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

The IUPAC name of 4-[5-[[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline (CID 75131675) is 4-[5-[[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline.

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

The canonical SMILES for 4-[5-[[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline is COCCN1CCN(CC2C=C(C)C(Cc3nnc(-c4ccc(N(C)C)cc4)o3)CC2C(C)C)CC1.

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

The InChIKey is HURYJAHEAFBEBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H45N5O2/c1-21(2)27-18-24(19-28-30-31-29(36-28)23-7-9-26(10-8-23)32(4)5)22(3)17-25(27)20-34-13-11-33(12-14-34)15-16-35-6/h7-10,17,21,24-25,27H,11-16,18-20H2,1-6H3.

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

4-[5-[[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline has a molecular weight of 495.71 g/mol, XLogP of 4.46, 10 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-[[4-[[4-(2-methoxyethyl)piperazin-1-yl]methyl]-2-methyl-5-propan-2-ylcyclohex-2-en-1-yl]methyl]-1,3,4-oxadiazol-2-yl]-N,N-dimethylaniline is sourced from PubChem (CID 75131675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).