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

C24H25N3O4S — CID 55505337

IUPAC6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)N(Cc3cccs3)CC3CCCO3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C24H25N3O4S/c1-14-10-19(16(3)30-14)21-11-20(22-15(2)26-31-23(22)25-21)24(28)27(12-17-6-4-8-29-17)13-18-7-5-9-32-18/h5,7,9-11,17H,4,6,8,12-13H2,1-3H3
InChIKeyNNFPUTWCYRBJSN-UHFFFAOYSA-N
MW451.55 g/mol
LogP5.29
Rot. Bonds6

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

6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (PubChem CID 55505337) has the molecular formula C24H25N3O4S and a molecular weight of 451.55 g/mol. Its IUPAC name is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.

Molecular Properties

Compound Name6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
PubChem CID55505337
Molecular FormulaC24H25N3O4S
Molecular Weight451.55 g/mol
Exact Mass451.16
IUPAC Name6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
SMILESCc1cc(-c2cc(C(=O)N(Cc3cccs3)CC3CCCO3)c3c(C)noc3n2)c(C)o1
InChIInChI=1S/C24H25N3O4S/c1-14-10-19(16(3)30-14)21-11-20(22-15(2)26-31-23(22)25-21)24(28)27(12-17-6-4-8-29-17)13-18-7-5-9-32-18/h5,7,9-11,17H,4,6,8,12-13H2,1-3H3
InChIKeyNNFPUTWCYRBJSN-UHFFFAOYSA-N
XLogP5.29
TPSA81.60 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500451.55
LogP ≤ 55.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The IUPAC name of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide (CID 55505337) is 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide.
What is the SMILES notation for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The canonical SMILES for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is Cc1cc(-c2cc(C(=O)N(Cc3cccs3)CC3CCCO3)c3c(C)noc3n2)c(C)o1.
What is the InChIKey of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
The InChIKey is NNFPUTWCYRBJSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O4S/c1-14-10-19(16(3)30-14)21-11-20(22-15(2)26-31-23(22)25-21)24(28)27(12-17-6-4-8-29-17)13-18-7-5-9-32-18/h5,7,9-11,17H,4,6,8,12-13H2,1-3H3.
What are the key properties of 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide?
6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide has a molecular weight of 451.55 g/mol, XLogP of 5.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,5-dimethylfuran-3-yl)-3-methyl-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide is sourced from PubChem (CID 55505337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).