1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-ethylpiperidin-4-yl)indole-2-carboxamide

C24H25ClN4O2S — CID 10412365

About 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-ethylpiperidin-4-yl)indole-2-carboxamide

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-ethylpiperidin-4-yl)indole-2-carboxamide (PubChem CID 10412365) has the molecular formula C24H25ClN4O2S and a molecular weight of 469.01 g/mol. Its IUPAC name is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-ethylpiperidin-4-yl)indole-2-carboxamide.

Molecular Properties

• Compound Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-ethylpiperidin-4-yl)indole-2-carboxamide
• PubChem CID: 10412365
• Molecular Formula: C24H25ClN4O2S
• Molecular Weight: 469.01 g/mol
• Exact Mass: 468.14
• IUPAC Name: 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-ethylpiperidin-4-yl)indole-2-carboxamide
• SMILES: CCN1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1
• InChI: InChI=1S/C24H25ClN4O2S/c1-2-28-11-9-17(10-12-28)26-24(30)20-13-16-5-3-4-6-19(16)29(20)15-18-14-21(31-27-18)22-7-8-23(25)32-22/h3-8,13-14,17H,2,9-12,15H2,1H3,(H,26,30)
• InChIKey: ZBYUTHMPEVJBEL-UHFFFAOYSA-N
• XLogP: 5.27
• TPSA: 63.30 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 32
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	469.01
LogP ≤ 5	5.27
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-ethylpiperidin-4-yl)indole-2-carboxamide?

The IUPAC name of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-ethylpiperidin-4-yl)indole-2-carboxamide (CID 10412365) is 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-ethylpiperidin-4-yl)indole-2-carboxamide.

What is the SMILES notation for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-ethylpiperidin-4-yl)indole-2-carboxamide?

The canonical SMILES for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-ethylpiperidin-4-yl)indole-2-carboxamide is CCN1CCC(NC(=O)c2cc3ccccc3n2Cc2cc(-c3ccc(Cl)s3)on2)CC1.

What is the InChIKey of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-ethylpiperidin-4-yl)indole-2-carboxamide?

The InChIKey is ZBYUTHMPEVJBEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN4O2S/c1-2-28-11-9-17(10-12-28)26-24(30)20-13-16-5-3-4-6-19(16)29(20)15-18-14-21(31-27-18)22-7-8-23(25)32-22/h3-8,13-14,17H,2,9-12,15H2,1H3,(H,26,30).

What are the key properties of 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-ethylpiperidin-4-yl)indole-2-carboxamide?

1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-ethylpiperidin-4-yl)indole-2-carboxamide has a molecular weight of 469.01 g/mol, XLogP of 5.27, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[[5-(5-chlorothiophen-2-yl)-1,2-oxazol-3-yl]methyl]-N-(1-ethylpiperidin-4-yl)indole-2-carboxamide is sourced from PubChem (CID 10412365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).