(3-bromophenyl)-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone

C17H21BrN4O2 — CID 110395871

About (3-bromophenyl)-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone

(3-bromophenyl)-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone (PubChem CID 110395871) has the molecular formula C17H21BrN4O2 and a molecular weight of 393.29 g/mol. Its IUPAC name is (3-bromophenyl)-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone.

Molecular Properties

• Compound Name: (3-bromophenyl)-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
• PubChem CID: 110395871
• Molecular Formula: C17H21BrN4O2
• Molecular Weight: 393.29 g/mol
• Exact Mass: 392.08
• IUPAC Name: (3-bromophenyl)-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone
• SMILES: CC(C)c1nnc(CN2CCN(C(=O)c3cccc(Br)c3)CC2)o1
• InChI: InChI=1S/C17H21BrN4O2/c1-12(2)16-20-19-15(24-16)11-21-6-8-22(9-7-21)17(23)13-4-3-5-14(18)10-13/h3-5,10,12H,6-9,11H2,1-2H3
• InChIKey: MJZULGZMIMWVLC-UHFFFAOYSA-N
• XLogP: 2.91
• TPSA: 62.47 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 4
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	393.29
LogP ≤ 5	2.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of (3-bromophenyl)-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone (CID 110395871) is (3-bromophenyl)-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone.

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

The canonical SMILES for (3-bromophenyl)-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone is CC(C)c1nnc(CN2CCN(C(=O)c3cccc(Br)c3)CC2)o1.

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

The InChIKey is MJZULGZMIMWVLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21BrN4O2/c1-12(2)16-20-19-15(24-16)11-21-6-8-22(9-7-21)17(23)13-4-3-5-14(18)10-13/h3-5,10,12H,6-9,11H2,1-2H3.

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

(3-bromophenyl)-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone has a molecular weight of 393.29 g/mol, XLogP of 2.91, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3-bromophenyl)-[4-[(5-propan-2-yl-1,3,4-oxadiazol-2-yl)methyl]piperazin-1-yl]methanone is sourced from PubChem (CID 110395871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).