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

C15H11N5OS — CID 18130908

IUPAC2-phenyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole
SMILESc1ccc(-c2nc(CSc3nc4ncccn4n3)co2)cc1
InChIInChI=1S/C15H11N5OS/c1-2-5-11(6-3-1)13-17-12(9-21-13)10-22-15-18-14-16-7-4-8-20(14)19-15/h1-9H,10H2
InChIKeyRATFJEXMIWHRIV-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.07
Rot. Bonds4

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

2-phenyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole (PubChem CID 18130908) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 2-phenyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole.

Molecular Properties

Compound Name2-phenyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole
PubChem CID18130908
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name2-phenyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole
SMILESc1ccc(-c2nc(CSc3nc4ncccn4n3)co2)cc1
InChIInChI=1S/C15H11N5OS/c1-2-5-11(6-3-1)13-17-12(9-21-13)10-22-15-18-14-16-7-4-8-20(14)19-15/h1-9H,10H2
InChIKeyRATFJEXMIWHRIV-UHFFFAOYSA-N
XLogP3.07
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-phenyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole?
The IUPAC name of 2-phenyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole (CID 18130908) is 2-phenyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole.
What is the SMILES notation for 2-phenyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole?
The canonical SMILES for 2-phenyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole is c1ccc(-c2nc(CSc3nc4ncccn4n3)co2)cc1.
What is the InChIKey of 2-phenyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole?
The InChIKey is RATFJEXMIWHRIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c1-2-5-11(6-3-1)13-17-12(9-21-13)10-22-15-18-14-16-7-4-8-20(14)19-15/h1-9H,10H2.
What are the key properties of 2-phenyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole?
2-phenyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole has a molecular weight of 309.35 g/mol, XLogP of 3.07, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-4-([1,2,4]triazolo[1,5-a]pyrimidin-2-ylsulfanylmethyl)-1,3-oxazole is sourced from PubChem (CID 18130908), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).