6-(furan-2-yl)-3-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C20H17N3O3S — CID 18150928

About 6-(furan-2-yl)-3-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

6-(furan-2-yl)-3-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 18150928) has the molecular formula C20H17N3O3S and a molecular weight of 379.44 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(furan-2-yl)-3-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 18150928
• Molecular Formula: C20H17N3O3S
• Molecular Weight: 379.44 g/mol
• Exact Mass: 379.10
• IUPAC Name: 6-(furan-2-yl)-3-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: C=CCN(Cc1cccs1)C(=O)c1cc(-c2ccco2)nc2onc(C)c12
• InChI: InChI=1S/C20H17N3O3S/c1-3-8-23(12-14-6-5-10-27-14)20(24)15-11-16(17-7-4-9-25-17)21-19-18(15)13(2)22-26-19/h3-7,9-11H,1,8,12H2,2H3
• InChIKey: YLABLYZVDPQSAR-UHFFFAOYSA-N
• XLogP: 4.68
• TPSA: 72.37 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	379.44
LogP ≤ 5	4.68
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)-3-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The IUPAC name of 6-(furan-2-yl)-3-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 18150928) is 6-(furan-2-yl)-3-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

What is the SMILES notation for 6-(furan-2-yl)-3-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The canonical SMILES for 6-(furan-2-yl)-3-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is C=CCN(Cc1cccs1)C(=O)c1cc(-c2ccco2)nc2onc(C)c12.

What is the InChIKey of 6-(furan-2-yl)-3-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

The InChIKey is YLABLYZVDPQSAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O3S/c1-3-8-23(12-14-6-5-10-27-14)20(24)15-11-16(17-7-4-9-25-17)21-19-18(15)13(2)22-26-19/h3-7,9-11H,1,8,12H2,2H3.

What are the key properties of 6-(furan-2-yl)-3-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?

6-(furan-2-yl)-3-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 379.44 g/mol, XLogP of 4.68, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(furan-2-yl)-3-methyl-N-prop-2-enyl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 18150928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).