3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C21H26N4O4S2 — CID 55706061

IUPAC3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)CC1
InChIInChI=1S/C21H26N4O4S2/c1-4-11-31(27,28)25-9-7-15(8-10-25)22-20(26)16-12-17(18-6-5-13(2)30-18)23-21-19(16)14(3)24-29-21/h5-6,12,15H,4,7-11H2,1-3H3,(H,22,26)
InChIKeyKJZKXOJNLLOQJF-UHFFFAOYSA-N
MW462.60 g/mol
LogP3.50
Rot. Bonds6

About 3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55706061) has the molecular formula C21H26N4O4S2 and a molecular weight of 462.60 g/mol. Its IUPAC name is 3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55706061
Molecular FormulaC21H26N4O4S2
Molecular Weight462.60 g/mol
Exact Mass462.14
IUPAC Name3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCCCS(=O)(=O)N1CCC(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)CC1
InChIInChI=1S/C21H26N4O4S2/c1-4-11-31(27,28)25-9-7-15(8-10-25)22-20(26)16-12-17(18-6-5-13(2)30-18)23-21-19(16)14(3)24-29-21/h5-6,12,15H,4,7-11H2,1-3H3,(H,22,26)
InChIKeyKJZKXOJNLLOQJF-UHFFFAOYSA-N
XLogP3.50
TPSA105.40 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.60
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55706061) is 3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is CCCS(=O)(=O)N1CCC(NC(=O)c2cc(-c3ccc(C)s3)nc3onc(C)c23)CC1.
What is the InChIKey of 3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is KJZKXOJNLLOQJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N4O4S2/c1-4-11-31(27,28)25-9-7-15(8-10-25)22-20(26)16-12-17(18-6-5-13(2)30-18)23-21-19(16)14(3)24-29-21/h5-6,12,15H,4,7-11H2,1-3H3,(H,22,26).
What are the key properties of 3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 462.60 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-(5-methylthiophen-2-yl)-N-(1-propylsulfonylpiperidin-4-yl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55706061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).