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

C15H11N5OS — CID 42648273

IUPAC4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-phenyl-1,2-oxazole
SMILESc1ccc(-c2oncc2-c2nn3c(C4CC4)nnc3s2)cc1
InChIInChI=1S/C15H11N5OS/c1-2-4-9(5-3-1)12-11(8-16-21-12)14-19-20-13(10-6-7-10)17-18-15(20)22-14/h1-5,8,10H,6-7H2
InChIKeyAGKVBWFJLYFHFK-UHFFFAOYSA-N
MW309.35 g/mol
LogP3.39
Rot. Bonds3

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

4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-phenyl-1,2-oxazole (PubChem CID 42648273) has the molecular formula C15H11N5OS and a molecular weight of 309.35 g/mol. Its IUPAC name is 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-phenyl-1,2-oxazole.

Molecular Properties

Compound Name4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-phenyl-1,2-oxazole
PubChem CID42648273
Molecular FormulaC15H11N5OS
Molecular Weight309.35 g/mol
Exact Mass309.07
IUPAC Name4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-phenyl-1,2-oxazole
SMILESc1ccc(-c2oncc2-c2nn3c(C4CC4)nnc3s2)cc1
InChIInChI=1S/C15H11N5OS/c1-2-4-9(5-3-1)12-11(8-16-21-12)14-19-20-13(10-6-7-10)17-18-15(20)22-14/h1-5,8,10H,6-7H2
InChIKeyAGKVBWFJLYFHFK-UHFFFAOYSA-N
XLogP3.39
TPSA69.11 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.35
LogP ≤ 53.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-phenyl-1,2-oxazole 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 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-phenyl-1,2-oxazole?
The IUPAC name of 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-phenyl-1,2-oxazole (CID 42648273) is 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-phenyl-1,2-oxazole.
What is the SMILES notation for 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-phenyl-1,2-oxazole?
The canonical SMILES for 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-phenyl-1,2-oxazole is c1ccc(-c2oncc2-c2nn3c(C4CC4)nnc3s2)cc1.
What is the InChIKey of 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-phenyl-1,2-oxazole?
The InChIKey is AGKVBWFJLYFHFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11N5OS/c1-2-4-9(5-3-1)12-11(8-16-21-12)14-19-20-13(10-6-7-10)17-18-15(20)22-14/h1-5,8,10H,6-7H2.
What are the key properties of 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-phenyl-1,2-oxazole?
4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-phenyl-1,2-oxazole has a molecular weight of 309.35 g/mol, XLogP of 3.39, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)-5-phenyl-1,2-oxazole is sourced from PubChem (CID 42648273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).