6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C18H22N4O2S — CID 119507261

About 6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 119507261) has the molecular formula C18H22N4O2S and a molecular weight of 358.47 g/mol. Its IUPAC name is 6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 119507261
• Molecular Formula: C18H22N4O2S
• Molecular Weight: 358.47 g/mol
• Exact Mass: 358.15
• IUPAC Name: 6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: CCNCCNC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12
• InChI: InChI=1S/C18H22N4O2S/c1-5-19-6-7-20-17(23)14-9-15(13-8-10(2)25-12(13)4)21-18-16(14)11(3)22-24-18/h8-9,19H,5-7H2,1-4H3,(H,20,23)
• InChIKey: BQUOCKPKHSUKGQ-UHFFFAOYSA-N
• XLogP: 3.22
• TPSA: 80.05 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 25
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	358.47
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 119507261) is 6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCNCCNC(=O)c1cc(-c2cc(C)sc2C)nc2onc(C)c12.

What is the InChIKey of 6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is BQUOCKPKHSUKGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2S/c1-5-19-6-7-20-17(23)14-9-15(13-8-10(2)25-12(13)4)21-18-16(14)11(3)22-24-18/h8-9,19H,5-7H2,1-4H3,(H,20,23).

What are the key properties of 6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 358.47 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(2,5-dimethylthiophen-3-yl)-N-[2-(ethylamino)ethyl]-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 119507261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).