1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide

C23H20N4O3S — CID 122283837

About 1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide (PubChem CID 122283837) has the molecular formula C23H20N4O3S and a molecular weight of 432.51 g/mol. Its IUPAC name is 1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide.

Molecular Properties

• Compound Name: 1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
• PubChem CID: 122283837
• Molecular Formula: C23H20N4O3S
• Molecular Weight: 432.51 g/mol
• Exact Mass: 432.13
• IUPAC Name: 1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
• SMILES: Cc1ccn2cc(-c3ccc(C)c(NS(=O)(=O)Cc4noc5ccccc45)c3)nc2c1
• InChI: InChI=1S/C23H20N4O3S/c1-15-9-10-27-13-20(24-23(27)11-15)17-8-7-16(2)19(12-17)26-31(28,29)14-21-18-5-3-4-6-22(18)30-25-21/h3-13,26H,14H2,1-2H3
• InChIKey: OGQATCQRVUCQHQ-UHFFFAOYSA-N
• XLogP: 4.70
• TPSA: 89.50 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 5
• Heavy Atoms: 31
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	432.51
LogP ≤ 5	4.70
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide?

The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide (CID 122283837) is 1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide.

What is the SMILES notation for 1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide?

The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide is Cc1ccn2cc(-c3ccc(C)c(NS(=O)(=O)Cc4noc5ccccc45)c3)nc2c1.

What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide?

The InChIKey is OGQATCQRVUCQHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-15-9-10-27-13-20(24-23(27)11-15)17-8-7-16(2)19(12-17)26-31(28,29)14-21-18-5-3-4-6-22(18)30-25-21/h3-13,26H,14H2,1-2H3.

What are the key properties of 1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide?

1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide has a molecular weight of 432.51 g/mol, XLogP of 4.70, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 122283837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).