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

C14H10N4OS — CID 166213177

IUPAC5-(1H-indazol-4-yl)-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1cc(-c2nc(Cc3ccsc3)no2)c2cn[nH]c2c1
InChIInChI=1S/C14H10N4OS/c1-2-10(11-7-15-17-12(11)3-1)14-16-13(18-19-14)6-9-4-5-20-8-9/h1-5,7-8H,6H2,(H,15,17)
InChIKeyPPNMWJSRBBPUTH-UHFFFAOYSA-N
MW282.33 g/mol
LogP3.27
Rot. Bonds3

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

5-(1H-indazol-4-yl)-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole (PubChem CID 166213177) has the molecular formula C14H10N4OS and a molecular weight of 282.33 g/mol. Its IUPAC name is 5-(1H-indazol-4-yl)-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1H-indazol-4-yl)-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
PubChem CID166213177
Molecular FormulaC14H10N4OS
Molecular Weight282.33 g/mol
Exact Mass282.06
IUPAC Name5-(1H-indazol-4-yl)-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole
SMILESc1cc(-c2nc(Cc3ccsc3)no2)c2cn[nH]c2c1
InChIInChI=1S/C14H10N4OS/c1-2-10(11-7-15-17-12(11)3-1)14-16-13(18-19-14)6-9-4-5-20-8-9/h1-5,7-8H,6H2,(H,15,17)
InChIKeyPPNMWJSRBBPUTH-UHFFFAOYSA-N
XLogP3.27
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.33
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-(1H-indazol-4-yl)-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(1H-indazol-4-yl)-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole (CID 166213177) is 5-(1H-indazol-4-yl)-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1H-indazol-4-yl)-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(1H-indazol-4-yl)-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole is c1cc(-c2nc(Cc3ccsc3)no2)c2cn[nH]c2c1.
What is the InChIKey of 5-(1H-indazol-4-yl)-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is PPNMWJSRBBPUTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10N4OS/c1-2-10(11-7-15-17-12(11)3-1)14-16-13(18-19-14)6-9-4-5-20-8-9/h1-5,7-8H,6H2,(H,15,17).
What are the key properties of 5-(1H-indazol-4-yl)-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole?
5-(1H-indazol-4-yl)-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 282.33 g/mol, XLogP of 3.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1H-indazol-4-yl)-3-(thiophen-3-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 166213177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).