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

C7H7N3O2S — CID 130978297

IUPAC5-(5-methyl-1,3-oxazol-4-yl)-3-methylsulfanyl-1,2,4-oxadiazole
SMILESCSc1noc(-c2ncoc2C)n1
InChIInChI=1S/C7H7N3O2S/c1-4-5(8-3-11-4)6-9-7(13-2)10-12-6/h3H,1-2H3
InChIKeyRUPXINRAWXPLOH-UHFFFAOYSA-N
MW197.22 g/mol
LogP1.75
Rot. Bonds2

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

5-(5-methyl-1,3-oxazol-4-yl)-3-methylsulfanyl-1,2,4-oxadiazole (PubChem CID 130978297) has the molecular formula C7H7N3O2S and a molecular weight of 197.22 g/mol. Its IUPAC name is 5-(5-methyl-1,3-oxazol-4-yl)-3-methylsulfanyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(5-methyl-1,3-oxazol-4-yl)-3-methylsulfanyl-1,2,4-oxadiazole
PubChem CID130978297
Molecular FormulaC7H7N3O2S
Molecular Weight197.22 g/mol
Exact Mass197.03
IUPAC Name5-(5-methyl-1,3-oxazol-4-yl)-3-methylsulfanyl-1,2,4-oxadiazole
SMILESCSc1noc(-c2ncoc2C)n1
InChIInChI=1S/C7H7N3O2S/c1-4-5(8-3-11-4)6-9-7(13-2)10-12-6/h3H,1-2H3
InChIKeyRUPXINRAWXPLOH-UHFFFAOYSA-N
XLogP1.75
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.22
LogP ≤ 51.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(5-methyl-1,3-oxazol-4-yl)-3-methylsulfanyl-1,2,4-oxadiazole?
The IUPAC name of 5-(5-methyl-1,3-oxazol-4-yl)-3-methylsulfanyl-1,2,4-oxadiazole (CID 130978297) is 5-(5-methyl-1,3-oxazol-4-yl)-3-methylsulfanyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(5-methyl-1,3-oxazol-4-yl)-3-methylsulfanyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(5-methyl-1,3-oxazol-4-yl)-3-methylsulfanyl-1,2,4-oxadiazole is CSc1noc(-c2ncoc2C)n1.
What is the InChIKey of 5-(5-methyl-1,3-oxazol-4-yl)-3-methylsulfanyl-1,2,4-oxadiazole?
The InChIKey is RUPXINRAWXPLOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7N3O2S/c1-4-5(8-3-11-4)6-9-7(13-2)10-12-6/h3H,1-2H3.
What are the key properties of 5-(5-methyl-1,3-oxazol-4-yl)-3-methylsulfanyl-1,2,4-oxadiazole?
5-(5-methyl-1,3-oxazol-4-yl)-3-methylsulfanyl-1,2,4-oxadiazole has a molecular weight of 197.22 g/mol, XLogP of 1.75, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(5-methyl-1,3-oxazol-4-yl)-3-methylsulfanyl-1,2,4-oxadiazole is sourced from PubChem (CID 130978297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).