3-tert-butyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)imidazo[1,5-a]pyridine-1-carboxamide

C20H20N4O3 — CID 110608257

About 3-tert-butyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)imidazo[1,5-a]pyridine-1-carboxamide

3-tert-butyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)imidazo[1,5-a]pyridine-1-carboxamide (PubChem CID 110608257) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 3-tert-butyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)imidazo[1,5-a]pyridine-1-carboxamide.

Molecular Properties

• Compound Name: 3-tert-butyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)imidazo[1,5-a]pyridine-1-carboxamide
• PubChem CID: 110608257
• Molecular Formula: C20H20N4O3
• Molecular Weight: 364.41 g/mol
• Exact Mass: 364.15
• IUPAC Name: 3-tert-butyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)imidazo[1,5-a]pyridine-1-carboxamide
• SMILES: Cn1c(=O)oc2cc(NC(=O)c3nc(C(C)(C)C)n4ccccc34)ccc21
• InChI: InChI=1S/C20H20N4O3/c1-20(2,3)18-22-16(14-7-5-6-10-24(14)18)17(25)21-12-8-9-13-15(11-12)27-19(26)23(13)4/h5-11H,1-4H3,(H,21,25)
• InChIKey: YKMOKXVCYJMSHH-UHFFFAOYSA-N
• XLogP: 3.33
• TPSA: 81.54 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 2
• Heavy Atoms: 27
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	364.41
LogP ≤ 5	3.33
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 3-tert-butyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)imidazo[1,5-a]pyridine-1-carboxamide?

The IUPAC name of 3-tert-butyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)imidazo[1,5-a]pyridine-1-carboxamide (CID 110608257) is 3-tert-butyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)imidazo[1,5-a]pyridine-1-carboxamide.

What is the SMILES notation for 3-tert-butyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)imidazo[1,5-a]pyridine-1-carboxamide?

The canonical SMILES for 3-tert-butyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)imidazo[1,5-a]pyridine-1-carboxamide is Cn1c(=O)oc2cc(NC(=O)c3nc(C(C)(C)C)n4ccccc34)ccc21.

What is the InChIKey of 3-tert-butyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)imidazo[1,5-a]pyridine-1-carboxamide?

The InChIKey is YKMOKXVCYJMSHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-20(2,3)18-22-16(14-7-5-6-10-24(14)18)17(25)21-12-8-9-13-15(11-12)27-19(26)23(13)4/h5-11H,1-4H3,(H,21,25).

What are the key properties of 3-tert-butyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)imidazo[1,5-a]pyridine-1-carboxamide?

3-tert-butyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)imidazo[1,5-a]pyridine-1-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 3.33, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 3-tert-butyl-N-(3-methyl-2-oxo-1,3-benzoxazol-6-yl)imidazo[1,5-a]pyridine-1-carboxamide is sourced from PubChem (CID 110608257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).