N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C27H19FN4O3 — CID 55810797

About N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55810797) has the molecular formula C27H19FN4O3 and a molecular weight of 466.47 g/mol. Its IUPAC name is N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55810797
• Molecular Formula: C27H19FN4O3
• Molecular Weight: 466.47 g/mol
• Exact Mass: 466.14
• IUPAC Name: N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c12
• InChI: InChI=1S/C27H19FN4O3/c1-17-25-22(13-23(24-6-3-11-34-24)30-26(25)35-31-17)27(33)32(16-20-4-2-5-21(28)12-20)15-19-9-7-18(14-29)8-10-19/h2-13H,15-16H2,1H3
• InChIKey: ZAEJXBKRIPHCJL-UHFFFAOYSA-N
• XLogP: 5.64
• TPSA: 96.16 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	466.47
LogP ≤ 5	5.64
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

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

The IUPAC name of N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55810797) is N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccco3)cc(C(=O)N(Cc3ccc(C#N)cc3)Cc3cccc(F)c3)c12.

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

The InChIKey is ZAEJXBKRIPHCJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19FN4O3/c1-17-25-22(13-23(24-6-3-11-34-24)30-26(25)35-31-17)27(33)32(16-20-4-2-5-21(28)12-20)15-19-9-7-18(14-29)8-10-19/h2-13H,15-16H2,1H3.

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

N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 466.47 g/mol, XLogP of 5.64, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(4-cyanophenyl)methyl]-N-[(3-fluorophenyl)methyl]-6-(furan-2-yl)-3-methyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55810797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).