5-methyl-3-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1,2-oxazole

C15H13N5OS — CID 4894788

IUPAC5-methyl-3-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1,2-oxazole
SMILESCc1cc(-c2nnc3sc(CCc4ccccc4)nn23)no1
InChIInChI=1S/C15H13N5OS/c1-10-9-12(19-21-10)14-16-17-15-20(14)18-13(22-15)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKeyXDCSEOZIWQFLIV-UHFFFAOYSA-N
MW311.37 g/mol
LogP2.93
Rot. Bonds4

About 5-methyl-3-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1,2-oxazole

5-methyl-3-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1,2-oxazole (PubChem CID 4894788) has the molecular formula C15H13N5OS and a molecular weight of 311.37 g/mol. Its IUPAC name is 5-methyl-3-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1,2-oxazole.

Molecular Properties

Compound Name5-methyl-3-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1,2-oxazole
PubChem CID4894788
Molecular FormulaC15H13N5OS
Molecular Weight311.37 g/mol
Exact Mass311.08
IUPAC Name5-methyl-3-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1,2-oxazole
SMILESCc1cc(-c2nnc3sc(CCc4ccccc4)nn23)no1
InChIInChI=1S/C15H13N5OS/c1-10-9-12(19-21-10)14-16-17-15-20(14)18-13(22-15)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3
InChIKeyXDCSEOZIWQFLIV-UHFFFAOYSA-N
XLogP2.93
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.37
LogP ≤ 52.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

3-(5-methyl-1,2-oxazol-3-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
CID 23006574
3-(4-methylphenyl)-6-(3-phenylpropyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 71820965
3-[6-[2-(2-methoxyphenyl)ethenyl]-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-5-methyl-1,2-oxazole
CID 4972582
[6-methyl-2-(2-phenylethyl)imidazo[2,1-b][1,3,4]thiadiazol-5-yl]methanol
CID 82219738
4-[[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]methyl]morpholine
CID 45492546
[3-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]methanamine
CID 28812237
3-(1-adamantyl)-6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 75539196
N-benzyl-N-methyl-2-[3-(3-methyl-1-benzofuran-2-yl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl]ethanamine
CID 91963131
2-methyl-N-[2-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]propan-2-amine
CID 114353197
6-benzyl-3-(3,4,5-trimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 666496
6-benzyl-3-(2-methoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 1234092
3-(3-phenyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-N-propan-2-ylpropan-1-amine
CID 114353253

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1,2-oxazole?
The IUPAC name of 5-methyl-3-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1,2-oxazole (CID 4894788) is 5-methyl-3-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1,2-oxazole.
What is the SMILES notation for 5-methyl-3-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1,2-oxazole?
The canonical SMILES for 5-methyl-3-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1,2-oxazole is Cc1cc(-c2nnc3sc(CCc4ccccc4)nn23)no1.
What is the InChIKey of 5-methyl-3-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1,2-oxazole?
The InChIKey is XDCSEOZIWQFLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5OS/c1-10-9-12(19-21-10)14-16-17-15-20(14)18-13(22-15)8-7-11-5-3-2-4-6-11/h2-6,9H,7-8H2,1H3.
What are the key properties of 5-methyl-3-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1,2-oxazole?
5-methyl-3-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1,2-oxazole has a molecular weight of 311.37 g/mol, XLogP of 2.93, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[6-(2-phenylethyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-3-yl]-1,2-oxazole is sourced from PubChem (CID 4894788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).