1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide

C23H20N4O3S — CID 122284009

IUPAC1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
SMILESCc1ccc(-c2cn3cccc(C)c3n2)cc1NS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C23H20N4O3S/c1-15-9-10-17(20-13-27-11-5-6-16(2)23(27)24-20)12-19(15)26-31(28,29)14-21-18-7-3-4-8-22(18)30-25-21/h3-13,26H,14H2,1-2H3
InChIKeyUJSPOCKSVVPRIO-UHFFFAOYSA-N
MW432.51 g/mol
LogP4.70
Rot. Bonds5

About 1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide

1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide (PubChem CID 122284009) 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-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide.

Molecular Properties

Compound Name1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
PubChem CID122284009
Molecular FormulaC23H20N4O3S
Molecular Weight432.51 g/mol
Exact Mass432.13
IUPAC Name1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
SMILESCc1ccc(-c2cn3cccc(C)c3n2)cc1NS(=O)(=O)Cc1noc2ccccc12
InChIInChI=1S/C23H20N4O3S/c1-15-9-10-17(20-13-27-11-5-6-16(2)23(27)24-20)12-19(15)26-31(28,29)14-21-18-7-3-4-8-22(18)30-25-21/h3-13,26H,14H2,1-2H3
InChIKeyUJSPOCKSVVPRIO-UHFFFAOYSA-N
XLogP4.70
TPSA89.50 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.51
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)methanesulfonamide
CID 122283665
1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 122283837
1-(1,2-benzoxazol-3-yl)-N-(5-imidazo[1,2-a]pyridin-2-yl-2-methoxyphenyl)methanesulfonamide
CID 122323269
1-(1,2-benzoxazol-3-yl)-N-(3-imidazo[1,2-a]pyridin-2-ylphenyl)methanesulfonamide
CID 122283480
4-ethoxy-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzenesulfonamide
CID 23608343
N-(5-imidazo[1,2-a]pyridin-2-yl-2-methylphenyl)ethanesulfonamide
CID 23608319
1-(1,2-benzoxazol-3-yl)-N-(4-methylphenyl)methanesulfonamide
CID 90624521
1-(4-chlorophenyl)-N-[2-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 121149174
2-fluoro-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055633
2-bromo-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]benzamide
CID 121055758
1-(4-fluorophenyl)-N-[4-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide
CID 122284552
2-(1,2-benzoxazol-3-ylmethylsulfonylamino)-[1,2,4]triazolo[1,5-a]pyridine-8-carboxylic acid
CID 167802547

Frequently Asked Questions

What is the IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide?
The IUPAC name of 1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide (CID 122284009) is 1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(8-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-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide?
The canonical SMILES for 1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide is Cc1ccc(-c2cn3cccc(C)c3n2)cc1NS(=O)(=O)Cc1noc2ccccc12.
What is the InChIKey of 1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide?
The InChIKey is UJSPOCKSVVPRIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4O3S/c1-15-9-10-17(20-13-27-11-5-6-16(2)23(27)24-20)12-19(15)26-31(28,29)14-21-18-7-3-4-8-22(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-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide?
1-(1,2-benzoxazol-3-yl)-N-[2-methyl-5-(8-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-(8-methylimidazo[1,2-a]pyridin-2-yl)phenyl]methanesulfonamide is sourced from PubChem (CID 122284009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).