5-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole

C16H12N4OS — CID 2572574

IUPAC5-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole
SMILESc1ccc(-c2cnc(CSc3nnc4ccccn34)o2)cc1
InChIInChI=1S/C16H12N4OS/c1-2-6-12(7-3-1)13-10-17-15(21-13)11-22-16-19-18-14-8-4-5-9-20(14)16/h1-10H,11H2
InChIKeyXDFCSTPYQSTIRQ-UHFFFAOYSA-N
MW308.37 g/mol
LogP3.68
Rot. Bonds4

About 5-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole

5-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole (PubChem CID 2572574) has the molecular formula C16H12N4OS and a molecular weight of 308.37 g/mol. Its IUPAC name is 5-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name5-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole
PubChem CID2572574
Molecular FormulaC16H12N4OS
Molecular Weight308.37 g/mol
Exact Mass308.07
IUPAC Name5-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole
SMILESc1ccc(-c2cnc(CSc3nnc4ccccn34)o2)cc1
InChIInChI=1S/C16H12N4OS/c1-2-6-12(7-3-1)13-10-17-15(21-13)11-22-16-19-18-14-8-4-5-9-20(14)16/h1-10H,11H2
InChIKeyXDFCSTPYQSTIRQ-UHFFFAOYSA-N
XLogP3.68
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.37
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole?
The IUPAC name of 5-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole (CID 2572574) is 5-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole.
What is the SMILES notation for 5-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole?
The canonical SMILES for 5-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole is c1ccc(-c2cnc(CSc3nnc4ccccn34)o2)cc1.
What is the InChIKey of 5-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole?
The InChIKey is XDFCSTPYQSTIRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12N4OS/c1-2-6-12(7-3-1)13-10-17-15(21-13)11-22-16-19-18-14-8-4-5-9-20(14)16/h1-10H,11H2.
What are the key properties of 5-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole?
5-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole has a molecular weight of 308.37 g/mol, XLogP of 3.68, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-phenyl-2-([1,2,4]triazolo[4,3-a]pyridin-3-ylsulfanylmethyl)-1,3-oxazole is sourced from PubChem (CID 2572574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).