3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

C29H24N4O4 — CID 70941259

About 3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide

3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (PubChem CID 70941259) has the molecular formula C29H24N4O4 and a molecular weight of 492.54 g/mol. Its IUPAC name is 3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

Molecular Properties

• Compound Name: 3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
• PubChem CID: 70941259
• Molecular Formula: C29H24N4O4
• Molecular Weight: 492.54 g/mol
• Exact Mass: 492.18
• IUPAC Name: 3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide
• SMILES: CCc1ccc(-c2ccc(-c3cc(NC(C)=O)cc(C(=O)Nc4nnc(-c5ccco5)o4)c3)cc2)cc1
• InChI: InChI=1S/C29H24N4O4/c1-3-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-15-24(17-25(16-23)30-18(2)34)27(35)31-29-33-32-28(37-29)26-5-4-14-36-26/h4-17H,3H2,1-2H3,(H,30,34)(H,31,33,35)
• InChIKey: DQSYYAKVHVGZKD-UHFFFAOYSA-N
• XLogP: 6.44
• TPSA: 110.26 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	492.54
LogP ≤ 5	6.44
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?

The IUPAC name of 3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide (CID 70941259) is 3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide.

What is the SMILES notation for 3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?

The canonical SMILES for 3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is CCc1ccc(-c2ccc(-c3cc(NC(C)=O)cc(C(=O)Nc4nnc(-c5ccco5)o4)c3)cc2)cc1.

What is the InChIKey of 3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?

The InChIKey is DQSYYAKVHVGZKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H24N4O4/c1-3-19-6-8-20(9-7-19)21-10-12-22(13-11-21)23-15-24(17-25(16-23)30-18(2)34)27(35)31-29-33-32-28(37-29)26-5-4-14-36-26/h4-17H,3H2,1-2H3,(H,30,34)(H,31,33,35).

What are the key properties of 3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide?

3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide has a molecular weight of 492.54 g/mol, XLogP of 6.44, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-acetamido-5-[4-(4-ethylphenyl)phenyl]-N-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]benzamide is sourced from PubChem (CID 70941259), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).