5-(1H-indazol-4-yl)-3-(1,3-thiazol-4-ylmethyl)-1,2,4-oxadiazole

C13H9N5OS — CID 166213303

IUPAC5-(1H-indazol-4-yl)-3-(1,3-thiazol-4-ylmethyl)-1,2,4-oxadiazole
SMILESc1cc(-c2nc(Cc3cscn3)no2)c2cn[nH]c2c1
InChIInChI=1S/C13H9N5OS/c1-2-9(10-5-15-17-11(10)3-1)13-16-12(18-19-13)4-8-6-20-7-14-8/h1-3,5-7H,4H2,(H,15,17)
InChIKeyORMMNDIOOJKTTI-UHFFFAOYSA-N
MW283.32 g/mol
LogP2.66
Rot. Bonds3

About 5-(1H-indazol-4-yl)-3-(1,3-thiazol-4-ylmethyl)-1,2,4-oxadiazole

5-(1H-indazol-4-yl)-3-(1,3-thiazol-4-ylmethyl)-1,2,4-oxadiazole (PubChem CID 166213303) has the molecular formula C13H9N5OS and a molecular weight of 283.32 g/mol. Its IUPAC name is 5-(1H-indazol-4-yl)-3-(1,3-thiazol-4-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indazol-4-yl)-3-(1,3-thiazol-4-ylmethyl)-1,2,4-oxadiazole
PubChem CID166213303
Molecular FormulaC13H9N5OS
Molecular Weight283.32 g/mol
Exact Mass283.05
IUPAC Name5-(1H-indazol-4-yl)-3-(1,3-thiazol-4-ylmethyl)-1,2,4-oxadiazole
SMILESc1cc(-c2nc(Cc3cscn3)no2)c2cn[nH]c2c1
InChIInChI=1S/C13H9N5OS/c1-2-9(10-5-15-17-11(10)3-1)13-16-12(18-19-13)4-8-6-20-7-14-8/h1-3,5-7H,4H2,(H,15,17)
InChIKeyORMMNDIOOJKTTI-UHFFFAOYSA-N
XLogP2.66
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.32
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-4-yl)-3-(1,3-thiazol-4-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indazol-4-yl)-3-(1,3-thiazol-4-ylmethyl)-1,2,4-oxadiazole (CID 166213303) is 5-(1H-indazol-4-yl)-3-(1,3-thiazol-4-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indazol-4-yl)-3-(1,3-thiazol-4-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indazol-4-yl)-3-(1,3-thiazol-4-ylmethyl)-1,2,4-oxadiazole is c1cc(-c2nc(Cc3cscn3)no2)c2cn[nH]c2c1.
What is the InChIKey of 5-(1H-indazol-4-yl)-3-(1,3-thiazol-4-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is ORMMNDIOOJKTTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9N5OS/c1-2-9(10-5-15-17-11(10)3-1)13-16-12(18-19-13)4-8-6-20-7-14-8/h1-3,5-7H,4H2,(H,15,17).
What are the key properties of 5-(1H-indazol-4-yl)-3-(1,3-thiazol-4-ylmethyl)-1,2,4-oxadiazole?
5-(1H-indazol-4-yl)-3-(1,3-thiazol-4-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 283.32 g/mol, XLogP of 2.66, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-4-yl)-3-(1,3-thiazol-4-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 166213303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).