3-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole

C13H12N4O3 — CID 75527940

IUPAC3-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2nc(-c3ccccc3)no2)n1
InChIInChI=1S/C13H12N4O3/c1-18-8-7-10-14-12(19-16-10)13-15-11(17-20-13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeySUMFWOZKSFSFEW-UHFFFAOYSA-N
MW272.26 g/mol
LogP1.98
Rot. Bonds5

About 3-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole

3-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole (PubChem CID 75527940) has the molecular formula C13H12N4O3 and a molecular weight of 272.26 g/mol. Its IUPAC name is 3-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
PubChem CID75527940
Molecular FormulaC13H12N4O3
Molecular Weight272.26 g/mol
Exact Mass272.09
IUPAC Name3-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole
SMILESCOCCc1noc(-c2nc(-c3ccccc3)no2)n1
InChIInChI=1S/C13H12N4O3/c1-18-8-7-10-14-12(19-16-10)13-15-11(17-20-13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3
InChIKeySUMFWOZKSFSFEW-UHFFFAOYSA-N
XLogP1.98
TPSA87.07 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.26
LogP ≤ 51.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The IUPAC name of 3-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole (CID 75527940) is 3-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole is COCCc1noc(-c2nc(-c3ccccc3)no2)n1.
What is the InChIKey of 3-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
The InChIKey is SUMFWOZKSFSFEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O3/c1-18-8-7-10-14-12(19-16-10)13-15-11(17-20-13)9-5-3-2-4-6-9/h2-6H,7-8H2,1H3.
What are the key properties of 3-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole?
3-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole has a molecular weight of 272.26 g/mol, XLogP of 1.98, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methoxyethyl)-5-(3-phenyl-1,2,4-oxadiazol-5-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 75527940), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).