6-methyl-2-(3-methylsulfonyl-4-pyridinyl)-[1,3]oxazolo[5,4-b]pyridine

C13H11N3O3S — CID 58148118

IUPAC6-methyl-2-(3-methylsulfonyl-4-pyridinyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1cnc2oc(-c3ccncc3S(C)(=O)=O)nc2c1
InChIInChI=1S/C13H11N3O3S/c1-8-5-10-13(15-6-8)19-12(16-10)9-3-4-14-7-11(9)20(2,17)18/h3-7H,1-2H3
InChIKeyANERFJHJRCZAKM-UHFFFAOYSA-N
MW289.32 g/mol
LogP2.00
Rot. Bonds2

About 6-methyl-2-(3-methylsulfonyl-4-pyridinyl)-[1,3]oxazolo[5,4-b]pyridine

6-methyl-2-(3-methylsulfonyl-4-pyridinyl)-[1,3]oxazolo[5,4-b]pyridine (PubChem CID 58148118) has the molecular formula C13H11N3O3S and a molecular weight of 289.32 g/mol. Its IUPAC name is 6-methyl-2-(3-methylsulfonyl-4-pyridinyl)-[1,3]oxazolo[5,4-b]pyridine.

Molecular Properties

Compound Name6-methyl-2-(3-methylsulfonyl-4-pyridinyl)-[1,3]oxazolo[5,4-b]pyridine
PubChem CID58148118
Molecular FormulaC13H11N3O3S
Molecular Weight289.32 g/mol
Exact Mass289.05
IUPAC Name6-methyl-2-(3-methylsulfonyl-4-pyridinyl)-[1,3]oxazolo[5,4-b]pyridine
SMILESCc1cnc2oc(-c3ccncc3S(C)(=O)=O)nc2c1
InChIInChI=1S/C13H11N3O3S/c1-8-5-10-13(15-6-8)19-12(16-10)9-3-4-14-7-11(9)20(2,17)18/h3-7H,1-2H3
InChIKeyANERFJHJRCZAKM-UHFFFAOYSA-N
XLogP2.00
TPSA85.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.32
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(3-ethylsulfonyl-4-pyridinyl)-5-methyl-1,3-benzoxazole
CID 58148146
2-(3-chloro-4-pyridinyl)-6-(trifluoromethyl)-[1,3]oxazolo[5,4-b]pyridine
CID 66880533
2-(3,4-dimethoxyphenyl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 82337852
ethane;4-methyl-3-methylsulfonylpyridine
CID 142044730
2-(3-ethylsulfonylimidazo[1,2-a]pyridin-2-yl)-6-methyl-[1,3]oxazolo[5,4-b]pyridine
CID 134462976
2-(3-ethylsulfonyl-1-oxidopyridin-1-ium-2-yl)-6-methylsulfonyl-[1,3]oxazolo[5,4-b]pyridine
CID 118581465
5-methyl-2-[3-(2,2,3,3,3-pentafluoropropoxy)-4-pyridinyl]-1,3-benzoxazole
CID 58148276
2-(3-ethylsulfinyl-4-pyridinyl)-3,6-dimethylimidazo[4,5-b]pyridine
CID 58056806
2-(3-methylsulfinyl-4-pyridinyl)-5-(trifluoromethyl)-1,3-benzoxazole
CID 66879671
3-(3-fluoro-4-methylsulfonylphenyl)-4-(4-methylphenyl)pyridine
CID 70124796
6-chloro-2-(3-ethyl-4-pyridinyl)-5-methyl-1,3-benzoxazole
CID 58148222
2-methylsulfonylpyrido[4,3-d]pyrimidine
CID 83884276

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylsulfonyl-4-pyridinyl)-[1,3]oxazolo[5,4-b]pyridine?
The IUPAC name of 6-methyl-2-(3-methylsulfonyl-4-pyridinyl)-[1,3]oxazolo[5,4-b]pyridine (CID 58148118) is 6-methyl-2-(3-methylsulfonyl-4-pyridinyl)-[1,3]oxazolo[5,4-b]pyridine.
What is the SMILES notation for 6-methyl-2-(3-methylsulfonyl-4-pyridinyl)-[1,3]oxazolo[5,4-b]pyridine?
The canonical SMILES for 6-methyl-2-(3-methylsulfonyl-4-pyridinyl)-[1,3]oxazolo[5,4-b]pyridine is Cc1cnc2oc(-c3ccncc3S(C)(=O)=O)nc2c1.
What is the InChIKey of 6-methyl-2-(3-methylsulfonyl-4-pyridinyl)-[1,3]oxazolo[5,4-b]pyridine?
The InChIKey is ANERFJHJRCZAKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H11N3O3S/c1-8-5-10-13(15-6-8)19-12(16-10)9-3-4-14-7-11(9)20(2,17)18/h3-7H,1-2H3.
What are the key properties of 6-methyl-2-(3-methylsulfonyl-4-pyridinyl)-[1,3]oxazolo[5,4-b]pyridine?
6-methyl-2-(3-methylsulfonyl-4-pyridinyl)-[1,3]oxazolo[5,4-b]pyridine has a molecular weight of 289.32 g/mol, XLogP of 2.00, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylsulfonyl-4-pyridinyl)-[1,3]oxazolo[5,4-b]pyridine is sourced from PubChem (CID 58148118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).