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

C21H21N5O3 — CID 71291760

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

N-[5-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 71291760) has the molecular formula C21H21N5O3 and a molecular weight of 391.43 g/mol. Its IUPAC name is N-[5-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 71291760
• Molecular Formula: C21H21N5O3
• Molecular Weight: 391.43 g/mol
• Exact Mass: 391.16
• IUPAC Name: N-[5-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: Cc1ccc(-c2noc(CC(C)(C)O)n2)cc1NC(=O)c1cnc2ccccn12
• InChI: InChI=1S/C21H21N5O3/c1-13-7-8-14(19-24-18(29-25-19)11-21(2,3)28)10-15(13)23-20(27)16-12-22-17-6-4-5-9-26(16)17/h4-10,12,28H,11H2,1-3H3,(H,23,27)
• InChIKey: DYKQKSFYWGGOTL-UHFFFAOYSA-N
• XLogP: 3.26
• TPSA: 105.55 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 29
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	391.43
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of N-[5-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide (CID 71291760) is N-[5-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for N-[5-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is Cc1ccc(-c2noc(CC(C)(C)O)n2)cc1NC(=O)c1cnc2ccccn12.

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

The InChIKey is DYKQKSFYWGGOTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O3/c1-13-7-8-14(19-24-18(29-25-19)11-21(2,3)28)10-15(13)23-20(27)16-12-22-17-6-4-5-9-26(16)17/h4-10,12,28H,11H2,1-3H3,(H,23,27).

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

N-[5-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 391.43 g/mol, XLogP of 3.26, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[5-(2-hydroxy-2-methylpropyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 71291760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).