5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide

C17H16BrN3O3 — CID 53055702

About 5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide

5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide (PubChem CID 53055702) has the molecular formula C17H16BrN3O3 and a molecular weight of 390.24 g/mol. Its IUPAC name is 5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide.

Molecular Properties

• Compound Name: 5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide
• PubChem CID: 53055702
• Molecular Formula: C17H16BrN3O3
• Molecular Weight: 390.24 g/mol
• Exact Mass: 389.04
• IUPAC Name: 5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide
• SMILES: Cc1cccc(-c2nc(CCN(C)C(=O)c3ccc(Br)o3)no2)c1
• InChI: InChI=1S/C17H16BrN3O3/c1-11-4-3-5-12(10-11)16-19-15(20-24-16)8-9-21(2)17(22)13-6-7-14(18)23-13/h3-7,10H,8-9H2,1-2H3
• InChIKey: YIOGEBKZHHTWCJ-UHFFFAOYSA-N
• XLogP: 3.72
• TPSA: 72.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 5
• Heavy Atoms: 24
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	390.24
LogP ≤ 5	3.72
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide?

The IUPAC name of 5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide (CID 53055702) is 5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide.

What is the SMILES notation for 5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide?

The canonical SMILES for 5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide is Cc1cccc(-c2nc(CCN(C)C(=O)c3ccc(Br)o3)no2)c1.

What is the InChIKey of 5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide?

The InChIKey is YIOGEBKZHHTWCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrN3O3/c1-11-4-3-5-12(10-11)16-19-15(20-24-16)8-9-21(2)17(22)13-6-7-14(18)23-13/h3-7,10H,8-9H2,1-2H3.

What are the key properties of 5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide?

5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide has a molecular weight of 390.24 g/mol, XLogP of 3.72, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 5-bromo-N-methyl-N-[2-[5-(3-methylphenyl)-1,2,4-oxadiazol-3-yl]ethyl]furan-2-carboxamide is sourced from PubChem (CID 53055702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).