4-bromo-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide

C19H23BrN4O3 — CID 31094369

About 4-bromo-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide

4-bromo-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide (PubChem CID 31094369) has the molecular formula C19H23BrN4O3 and a molecular weight of 435.32 g/mol. Its IUPAC name is 4-bromo-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide.

Molecular Properties

• Compound Name: 4-bromo-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide
• PubChem CID: 31094369
• Molecular Formula: C19H23BrN4O3
• Molecular Weight: 435.32 g/mol
• Exact Mass: 434.10
• IUPAC Name: 4-bromo-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide
• SMILES: Cc1cc(CN2CCN(C(=O)CCNC(=O)c3ccc(Br)cc3)CC2)on1
• InChI: InChI=1S/C19H23BrN4O3/c1-14-12-17(27-22-14)13-23-8-10-24(11-9-23)18(25)6-7-21-19(26)15-2-4-16(20)5-3-15/h2-5,12H,6-11,13H2,1H3,(H,21,26)
• InChIKey: AIRNAJOXCGUWSK-UHFFFAOYSA-N
• XLogP: 2.21
• TPSA: 78.68 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 5
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	435.32
LogP ≤ 5	2.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide?

The IUPAC name of 4-bromo-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide (CID 31094369) is 4-bromo-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide.

What is the SMILES notation for 4-bromo-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide?

The canonical SMILES for 4-bromo-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide is Cc1cc(CN2CCN(C(=O)CCNC(=O)c3ccc(Br)cc3)CC2)on1.

What is the InChIKey of 4-bromo-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide?

The InChIKey is AIRNAJOXCGUWSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23BrN4O3/c1-14-12-17(27-22-14)13-23-8-10-24(11-9-23)18(25)6-7-21-19(26)15-2-4-16(20)5-3-15/h2-5,12H,6-11,13H2,1H3,(H,21,26).

What are the key properties of 4-bromo-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide?

4-bromo-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide has a molecular weight of 435.32 g/mol, XLogP of 2.21, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-bromo-N-[3-[4-[(3-methyl-1,2-oxazol-5-yl)methyl]piperazin-1-yl]-3-oxopropyl]benzamide is sourced from PubChem (CID 31094369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).