N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)benzamide

C23H20ClN3O3 — CID 83277255

About N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)benzamide

N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)benzamide (PubChem CID 83277255) has the molecular formula C23H20ClN3O3 and a molecular weight of 421.88 g/mol. Its IUPAC name is N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)benzamide.

Molecular Properties

• Compound Name: N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
• PubChem CID: 83277255
• Molecular Formula: C23H20ClN3O3
• Molecular Weight: 421.88 g/mol
• Exact Mass: 421.12
• IUPAC Name: N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)benzamide
• SMILES: Cc1ccc(-c2noc(CCN(Cc3ccco3)C(=O)c3ccccc3)n2)cc1Cl
• InChI: InChI=1S/C23H20ClN3O3/c1-16-9-10-18(14-20(16)24)22-25-21(30-26-22)11-12-27(15-19-8-5-13-29-19)23(28)17-6-3-2-4-7-17/h2-10,13-14H,11-12,15H2,1H3
• InChIKey: YBLRUBSXTGCEQN-UHFFFAOYSA-N
• XLogP: 5.18
• 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	421.88
LogP ≤ 5	5.18
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

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

The IUPAC name of N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)benzamide (CID 83277255) is N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)benzamide.

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

The canonical SMILES for N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)benzamide is Cc1ccc(-c2noc(CCN(Cc3ccco3)C(=O)c3ccccc3)n2)cc1Cl.

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

The InChIKey is YBLRUBSXTGCEQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20ClN3O3/c1-16-9-10-18(14-20(16)24)22-25-21(30-26-22)11-12-27(15-19-8-5-13-29-19)23(28)17-6-3-2-4-7-17/h2-10,13-14H,11-12,15H2,1H3.

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

N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)benzamide has a molecular weight of 421.88 g/mol, XLogP of 5.18, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-[3-(3-chloro-4-methylphenyl)-1,2,4-oxadiazol-5-yl]ethyl]-N-(furan-2-ylmethyl)benzamide is sourced from PubChem (CID 83277255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).