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

C22H17N5O3 — CID 55610716

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

6-(furan-2-yl)-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55610716) has the molecular formula C22H17N5O3 and a molecular weight of 399.41 g/mol. Its IUPAC name is 6-(furan-2-yl)-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

• Compound Name: 6-(furan-2-yl)-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• PubChem CID: 55610716
• Molecular Formula: C22H17N5O3
• Molecular Weight: 399.41 g/mol
• Exact Mass: 399.13
• IUPAC Name: 6-(furan-2-yl)-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
• SMILES: Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(Cn4cccn4)c3)c12
• InChI: InChI=1S/C22H17N5O3/c1-14-20-17(12-18(19-7-3-10-29-19)25-22(20)30-26-14)21(28)24-16-6-2-5-15(11-16)13-27-9-4-8-23-27/h2-12H,13H2,1H3,(H,24,28)
• InChIKey: ZFOCZWFHTNHFLC-UHFFFAOYSA-N
• XLogP: 4.29
• TPSA: 98.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 30
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	399.41
LogP ≤ 5	4.29
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 6-(furan-2-yl)-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55610716) is 6-(furan-2-yl)-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

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

The canonical SMILES for 6-(furan-2-yl)-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1noc2nc(-c3ccco3)cc(C(=O)Nc3cccc(Cn4cccn4)c3)c12.

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

The InChIKey is ZFOCZWFHTNHFLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O3/c1-14-20-17(12-18(19-7-3-10-29-19)25-22(20)30-26-14)21(28)24-16-6-2-5-15(11-16)13-27-9-4-8-23-27/h2-12H,13H2,1H3,(H,24,28).

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

6-(furan-2-yl)-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 399.41 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-(furan-2-yl)-3-methyl-N-[3-(pyrazol-1-ylmethyl)phenyl]-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55610716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).