3-(2,2-dimethylpropyl)-N-methylsulfonyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

C13H17N3O4S — CID 47975473

IUPAC3-(2,2-dimethylpropyl)-N-methylsulfonyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)(C)Cc1noc2ncc(C(=O)NS(C)(=O)=O)cc12
InChIInChI=1S/C13H17N3O4S/c1-13(2,3)6-10-9-5-8(7-14-12(9)20-15-10)11(17)16-21(4,18)19/h5,7H,6H2,1-4H3,(H,16,17)
InChIKeyMJYOCRDIFULKIG-UHFFFAOYSA-N
MW311.36 g/mol
LogP1.50
Rot. Bonds3

About 3-(2,2-dimethylpropyl)-N-methylsulfonyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide

3-(2,2-dimethylpropyl)-N-methylsulfonyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 47975473) has the molecular formula C13H17N3O4S and a molecular weight of 311.36 g/mol. Its IUPAC name is 3-(2,2-dimethylpropyl)-N-methylsulfonyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound Name3-(2,2-dimethylpropyl)-N-methylsulfonyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID47975473
Molecular FormulaC13H17N3O4S
Molecular Weight311.36 g/mol
Exact Mass311.09
IUPAC Name3-(2,2-dimethylpropyl)-N-methylsulfonyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESCC(C)(C)Cc1noc2ncc(C(=O)NS(C)(=O)=O)cc12
InChIInChI=1S/C13H17N3O4S/c1-13(2,3)6-10-9-5-8(7-14-12(9)20-15-10)11(17)16-21(4,18)19/h5,7H,6H2,1-4H3,(H,16,17)
InChIKeyMJYOCRDIFULKIG-UHFFFAOYSA-N
XLogP1.50
TPSA102.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.36
LogP ≤ 51.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-(2,2-dimethylpropyl)-N-methylsulfonyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(2,2-dimethylpropyl)-N-methylsulfonyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of 3-(2,2-dimethylpropyl)-N-methylsulfonyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide (CID 47975473) is 3-(2,2-dimethylpropyl)-N-methylsulfonyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for 3-(2,2-dimethylpropyl)-N-methylsulfonyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for 3-(2,2-dimethylpropyl)-N-methylsulfonyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is CC(C)(C)Cc1noc2ncc(C(=O)NS(C)(=O)=O)cc12.
What is the InChIKey of 3-(2,2-dimethylpropyl)-N-methylsulfonyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is MJYOCRDIFULKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O4S/c1-13(2,3)6-10-9-5-8(7-14-12(9)20-15-10)11(17)16-21(4,18)19/h5,7H,6H2,1-4H3,(H,16,17).
What are the key properties of 3-(2,2-dimethylpropyl)-N-methylsulfonyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide?
3-(2,2-dimethylpropyl)-N-methylsulfonyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 311.36 g/mol, XLogP of 1.50, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,2-dimethylpropyl)-N-methylsulfonyl-[1,2]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 47975473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).