ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide

C23H23N3O4 — CID 142440037

About ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide

ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide (PubChem CID 142440037) has the molecular formula C23H23N3O4 and a molecular weight of 405.45 g/mol. Its IUPAC name is ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide.

Molecular Properties

• Compound Name: ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide
• PubChem CID: 142440037
• Molecular Formula: C23H23N3O4
• Molecular Weight: 405.45 g/mol
• Exact Mass: 405.17
• IUPAC Name: ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide
• SMILES: CC.COc1ccc(C)cc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1
• InChI: InChI=1S/C21H17N3O4.C2H6/c1-13-8-9-17(26-2)16(11-13)19(25)22-15-6-3-5-14(12-15)20-23-24-21(28-20)18-7-4-10-27-18;1-2/h3-12H,1-2H3,(H,22,25);1-2H3
• InChIKey: FDIOZAALVANIOK-UHFFFAOYSA-N
• XLogP: 5.59
• TPSA: 90.39 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	405.45
LogP ≤ 5	5.59
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide?

The IUPAC name of ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide (CID 142440037) is ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide.

What is the SMILES notation for ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide?

The canonical SMILES for ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide is CC.COc1ccc(C)cc1C(=O)Nc1cccc(-c2nnc(-c3ccco3)o2)c1.

What is the InChIKey of ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide?

The InChIKey is FDIOZAALVANIOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4.C2H6/c1-13-8-9-17(26-2)16(11-13)19(25)22-15-6-3-5-14(12-15)20-23-24-21(28-20)18-7-4-10-27-18;1-2/h3-12H,1-2H3,(H,22,25);1-2H3.

What are the key properties of ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide?

ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide has a molecular weight of 405.45 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for ethane;N-[3-[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]phenyl]-2-methoxy-5-methylbenzamide is sourced from PubChem (CID 142440037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).