5-methyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole

C12H10N4O2 — CID 890516

IUPAC5-methyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2cccc(-c3noc(C)n3)c2)no1
InChIInChI=1S/C12H10N4O2/c1-7-13-11(15-17-7)9-4-3-5-10(6-9)12-14-8(2)18-16-12/h3-6H,1-2H3
InChIKeyZYJHOYMQHUVLJH-UHFFFAOYSA-N
MW242.24 g/mol
LogP2.40
Rot. Bonds2

About 5-methyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole

5-methyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 890516) has the molecular formula C12H10N4O2 and a molecular weight of 242.24 g/mol. Its IUPAC name is 5-methyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-methyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole
PubChem CID890516
Molecular FormulaC12H10N4O2
Molecular Weight242.24 g/mol
Exact Mass242.08
IUPAC Name5-methyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole
SMILESCc1nc(-c2cccc(-c3noc(C)n3)c2)no1
InChIInChI=1S/C12H10N4O2/c1-7-13-11(15-17-7)9-4-3-5-10(6-9)12-14-8(2)18-16-12/h3-6H,1-2H3
InChIKeyZYJHOYMQHUVLJH-UHFFFAOYSA-N
XLogP2.40
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.24
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 5-methyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole (CID 890516) is 5-methyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-methyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-methyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole is Cc1nc(-c2cccc(-c3noc(C)n3)c2)no1.
What is the InChIKey of 5-methyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is ZYJHOYMQHUVLJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10N4O2/c1-7-13-11(15-17-7)9-4-3-5-10(6-9)12-14-8(2)18-16-12/h3-6H,1-2H3.
What are the key properties of 5-methyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole?
5-methyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 242.24 g/mol, XLogP of 2.40, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[3-(5-methyl-1,2,4-oxadiazol-3-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 890516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).