2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-2-yl]ethanol

C21H32N4O3 — CID 56918526

About 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-2-yl]ethanol

2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-2-yl]ethanol (PubChem CID 56918526) has the molecular formula C21H32N4O3 and a molecular weight of 388.51 g/mol. Its IUPAC name is 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-2-yl]ethanol.

Molecular Properties

• Compound Name: 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-2-yl]ethanol
• PubChem CID: 56918526
• Molecular Formula: C21H32N4O3
• Molecular Weight: 388.51 g/mol
• Exact Mass: 388.25
• IUPAC Name: 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-2-yl]ethanol
• SMILES: COc1ccc(CN2CCN(c3noc(C(C)C)n3)CC2CCO)c(C)c1C
• InChI: InChI=1S/C21H32N4O3/c1-14(2)20-22-21(23-28-20)25-10-9-24(18(13-25)8-11-26)12-17-6-7-19(27-5)16(4)15(17)3/h6-7,14,18,26H,8-13H2,1-5H3
• InChIKey: UBTZSEVITBSTTQ-UHFFFAOYSA-N
• XLogP: 2.89
• TPSA: 74.86 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 7
• Heavy Atoms: 28
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	388.51
LogP ≤ 5	2.89
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-2-yl]ethanol (CID 56918526) is 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-2-yl]ethanol.

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

The canonical SMILES for 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-2-yl]ethanol is COc1ccc(CN2CCN(c3noc(C(C)C)n3)CC2CCO)c(C)c1C.

What is the InChIKey of 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-2-yl]ethanol?

The InChIKey is UBTZSEVITBSTTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N4O3/c1-14(2)20-22-21(23-28-20)25-10-9-24(18(13-25)8-11-26)12-17-6-7-19(27-5)16(4)15(17)3/h6-7,14,18,26H,8-13H2,1-5H3.

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

2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-2-yl]ethanol has a molecular weight of 388.51 g/mol, XLogP of 2.89, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[1-[(4-methoxy-2,3-dimethylphenyl)methyl]-4-(5-propan-2-yl-1,2,4-oxadiazol-3-yl)piperazin-2-yl]ethanol is sourced from PubChem (CID 56918526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).