N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide

C23H20BrN3O3 — CID 83277431

About N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide

N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide (PubChem CID 83277431) has the molecular formula C23H20BrN3O3 and a molecular weight of 466.34 g/mol. Its IUPAC name is N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide.

Molecular Properties

• Compound Name: N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
• PubChem CID: 83277431
• Molecular Formula: C23H20BrN3O3
• Molecular Weight: 466.34 g/mol
• Exact Mass: 465.07
• IUPAC Name: N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide
• SMILES: Cc1ccc(C(=O)N(CCc2nc(-c3ccc(Br)cc3)no2)Cc2ccco2)cc1
• InChI: InChI=1S/C23H20BrN3O3/c1-16-4-6-18(7-5-16)23(28)27(15-20-3-2-14-29-20)13-12-21-25-22(26-30-21)17-8-10-19(24)11-9-17/h2-11,14H,12-13,15H2,1H3
• InChIKey: AYMWNZPEYMJYFB-UHFFFAOYSA-N
• XLogP: 5.29
• TPSA: 72.37 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.34
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide?

The IUPAC name of N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide (CID 83277431) is N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide.

What is the SMILES notation for N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide?

The canonical SMILES for N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide is Cc1ccc(C(=O)N(CCc2nc(-c3ccc(Br)cc3)no2)Cc2ccco2)cc1.

What is the InChIKey of N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide?

The InChIKey is AYMWNZPEYMJYFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20BrN3O3/c1-16-4-6-18(7-5-16)23(28)27(15-20-3-2-14-29-20)13-12-21-25-22(26-30-21)17-8-10-19(24)11-9-17/h2-11,14H,12-13,15H2,1H3.

What are the key properties of N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide?

N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide has a molecular weight of 466.34 g/mol, XLogP of 5.29, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(4-bromophenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)-4-methylbenzamide is sourced from PubChem (CID 83277431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).