2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide

C26H21N3O3S — CID 90563722

About 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide

2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide (PubChem CID 90563722) has the molecular formula C26H21N3O3S and a molecular weight of 455.54 g/mol. Its IUPAC name is 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide.

Molecular Properties

• Compound Name: 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide
• PubChem CID: 90563722
• Molecular Formula: C26H21N3O3S
• Molecular Weight: 455.54 g/mol
• Exact Mass: 455.13
• IUPAC Name: 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide
• SMILES: CCOc1ccc2ccccc2c1C(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1
• InChI: InChI=1S/C26H21N3O3S/c1-2-31-21-14-13-17-8-3-5-10-19(17)24(21)26(30)27-20-11-6-4-9-18(20)16-23-28-25(29-32-23)22-12-7-15-33-22/h3-15H,2,16H2,1H3,(H,27,30)
• InChIKey: KTXIUBRKFXDGFF-UHFFFAOYSA-N
• XLogP: 6.19
• TPSA: 77.25 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 7
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	455.54
LogP ≤ 5	6.19
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide?

The IUPAC name of 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide (CID 90563722) is 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide.

What is the SMILES notation for 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide?

The canonical SMILES for 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide is CCOc1ccc2ccccc2c1C(=O)Nc1ccccc1Cc1nc(-c2cccs2)no1.

What is the InChIKey of 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide?

The InChIKey is KTXIUBRKFXDGFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H21N3O3S/c1-2-31-21-14-13-17-8-3-5-10-19(17)24(21)26(30)27-20-11-6-4-9-18(20)16-23-28-25(29-32-23)22-12-7-15-33-22/h3-15H,2,16H2,1H3,(H,27,30).

What are the key properties of 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide?

2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide has a molecular weight of 455.54 g/mol, XLogP of 6.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 2-ethoxy-N-[2-[(3-thiophen-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenyl]naphthalene-1-carboxamide is sourced from PubChem (CID 90563722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).