N-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

C25H19N5O3 — CID 71281713

About N-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide

N-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71281713) has the molecular formula C25H19N5O3 and a molecular weight of 437.46 g/mol. Its IUPAC name is N-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 71281713
• Molecular Formula: C25H19N5O3
• Molecular Weight: 437.46 g/mol
• Exact Mass: 437.15
• IUPAC Name: N-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2nc(-c3ccc4c(c3)CCO4)no2)cc1NC(=O)c1cnc2ccccn12
• InChI: InChI=1S/C25H19N5O3/c1-15-5-6-18(13-19(15)27-24(31)20-14-26-22-4-2-3-10-30(20)22)25-28-23(29-33-25)17-7-8-21-16(12-17)9-11-32-21/h2-8,10,12-14H,9,11H2,1H3,(H,27,31)
• InChIKey: KTBBFSMANQSUFL-UHFFFAOYSA-N
• XLogP: 4.55
• TPSA: 94.55 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 4
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	437.46
LogP ≤ 5	4.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71281713) is N-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2nc(-c3ccc4c(c3)CCO4)no2)cc1NC(=O)c1cnc2ccccn12.

What is the InChIKey of N-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is KTBBFSMANQSUFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5O3/c1-15-5-6-18(13-19(15)27-24(31)20-14-26-22-4-2-3-10-30(20)22)25-28-23(29-33-25)17-7-8-21-16(12-17)9-11-32-21/h2-8,10,12-14H,9,11H2,1H3,(H,27,31).

What are the key properties of N-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide?

N-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 437.46 g/mol, XLogP of 4.55, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[3-(2,3-dihydro-1-benzofuran-5-yl)-1,2,4-oxadiazol-5-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71281713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).