5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

C10H9N5OS — CID 78953697

IUPAC5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCCc1ccsc1-c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C10H9N5OS/c1-2-6-3-4-17-7(6)10-13-9(15-16-10)8-11-5-12-14-8/h3-5H,2H2,1H3,(H,11,12,14)
InChIKeyHBLVZEOPMGIQSD-UHFFFAOYSA-N
MW247.28 g/mol
LogP2.15
Rot. Bonds3

About 5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole

5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (PubChem CID 78953697) has the molecular formula C10H9N5OS and a molecular weight of 247.28 g/mol. Its IUPAC name is 5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
PubChem CID78953697
Molecular FormulaC10H9N5OS
Molecular Weight247.28 g/mol
Exact Mass247.05
IUPAC Name5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole
SMILESCCc1ccsc1-c1nc(-c2ncn[nH]2)no1
InChIInChI=1S/C10H9N5OS/c1-2-6-3-4-17-7(6)10-13-9(15-16-10)8-11-5-12-14-8/h3-5H,2H2,1H3,(H,11,12,14)
InChIKeyHBLVZEOPMGIQSD-UHFFFAOYSA-N
XLogP2.15
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.28
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole (CID 78953697) is 5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is CCc1ccsc1-c1nc(-c2ncn[nH]2)no1.
What is the InChIKey of 5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is HBLVZEOPMGIQSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9N5OS/c1-2-6-3-4-17-7(6)10-13-9(15-16-10)8-11-5-12-14-8/h3-5H,2H2,1H3,(H,11,12,14).
What are the key properties of 5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole?
5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 247.28 g/mol, XLogP of 2.15, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-ethylthiophen-2-yl)-3-(1H-1,2,4-triazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 78953697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).