5-(2,3-dihydrothiophen-2-yl)-3-methyl-1,2,4-oxadiazole

C7H8N2OS — CID 89386331

IUPAC5-(2,3-dihydrothiophen-2-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CC=CS2)n1
InChIInChI=1S/C7H8N2OS/c1-5-8-7(10-9-5)6-3-2-4-11-6/h2,4,6H,3H2,1H3
InChIKeyLWVAVTJOUMKSMF-UHFFFAOYSA-N
MW168.22 g/mol
LogP2.07
Rot. Bonds1

About 5-(2,3-dihydrothiophen-2-yl)-3-methyl-1,2,4-oxadiazole

5-(2,3-dihydrothiophen-2-yl)-3-methyl-1,2,4-oxadiazole (PubChem CID 89386331) has the molecular formula C7H8N2OS and a molecular weight of 168.22 g/mol. Its IUPAC name is 5-(2,3-dihydrothiophen-2-yl)-3-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(2,3-dihydrothiophen-2-yl)-3-methyl-1,2,4-oxadiazole
PubChem CID89386331
Molecular FormulaC7H8N2OS
Molecular Weight168.22 g/mol
Exact Mass168.04
IUPAC Name5-(2,3-dihydrothiophen-2-yl)-3-methyl-1,2,4-oxadiazole
SMILESCc1noc(C2CC=CS2)n1
InChIInChI=1S/C7H8N2OS/c1-5-8-7(10-9-5)6-3-2-4-11-6/h2,4,6H,3H2,1H3
InChIKeyLWVAVTJOUMKSMF-UHFFFAOYSA-N
XLogP2.07
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,3-dihydrothiophen-2-yl)-3-methyl-1,2,4-oxadiazole?
The IUPAC name of 5-(2,3-dihydrothiophen-2-yl)-3-methyl-1,2,4-oxadiazole (CID 89386331) is 5-(2,3-dihydrothiophen-2-yl)-3-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(2,3-dihydrothiophen-2-yl)-3-methyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(2,3-dihydrothiophen-2-yl)-3-methyl-1,2,4-oxadiazole is Cc1noc(C2CC=CS2)n1.
What is the InChIKey of 5-(2,3-dihydrothiophen-2-yl)-3-methyl-1,2,4-oxadiazole?
The InChIKey is LWVAVTJOUMKSMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8N2OS/c1-5-8-7(10-9-5)6-3-2-4-11-6/h2,4,6H,3H2,1H3.
What are the key properties of 5-(2,3-dihydrothiophen-2-yl)-3-methyl-1,2,4-oxadiazole?
5-(2,3-dihydrothiophen-2-yl)-3-methyl-1,2,4-oxadiazole has a molecular weight of 168.22 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,3-dihydrothiophen-2-yl)-3-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 89386331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).