6-methyl-3-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide

C17H18N4O2S — CID 118740476

IUPAC6-methyl-3-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cccs2)c2c(C3CCCN3)noc2n1
InChIInChI=1S/C17H18N4O2S/c1-10-8-12(16(22)19-9-11-4-3-7-24-11)14-15(13-5-2-6-18-13)21-23-17(14)20-10/h3-4,7-8,13,18H,2,5-6,9H2,1H3,(H,19,22)
InChIKeyXGHDCKHHUACGCL-UHFFFAOYSA-N
MW342.42 g/mol
LogP2.95
Rot. Bonds4

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

6-methyl-3-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 118740476) has the molecular formula C17H18N4O2S and a molecular weight of 342.42 g/mol. Its IUPAC name is 6-methyl-3-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-methyl-3-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID118740476
Molecular FormulaC17H18N4O2S
Molecular Weight342.42 g/mol
Exact Mass342.12
IUPAC Name6-methyl-3-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(C(=O)NCc2cccs2)c2c(C3CCCN3)noc2n1
InChIInChI=1S/C17H18N4O2S/c1-10-8-12(16(22)19-9-11-4-3-7-24-11)14-15(13-5-2-6-18-13)21-23-17(14)20-10/h3-4,7-8,13,18H,2,5-6,9H2,1H3,(H,19,22)
InChIKeyXGHDCKHHUACGCL-UHFFFAOYSA-N
XLogP2.95
TPSA80.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500342.42
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-methyl-3-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-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 6-methyl-3-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-methyl-3-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 118740476) is 6-methyl-3-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-methyl-3-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-methyl-3-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(C(=O)NCc2cccs2)c2c(C3CCCN3)noc2n1.
What is the InChIKey of 6-methyl-3-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is XGHDCKHHUACGCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O2S/c1-10-8-12(16(22)19-9-11-4-3-7-24-11)14-15(13-5-2-6-18-13)21-23-17(14)20-10/h3-4,7-8,13,18H,2,5-6,9H2,1H3,(H,19,22).
What are the key properties of 6-methyl-3-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-methyl-3-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 342.42 g/mol, XLogP of 2.95, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-3-pyrrolidin-2-yl-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 118740476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).