3-ethyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole

C13H12N4O2 — CID 91917222

IUPAC3-ethyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
SMILESCCc1noc(-c2nc(-c3ccccc3C)no2)n1
InChIInChI=1S/C13H12N4O2/c1-3-10-14-12(18-16-10)13-15-11(17-19-13)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
InChIKeyJYFDLDPKKMICRM-UHFFFAOYSA-N
MW256.26 g/mol
LogP2.66
Rot. Bonds3

About 3-ethyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole

3-ethyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole (PubChem CID 91917222) has the molecular formula C13H12N4O2 and a molecular weight of 256.26 g/mol. Its IUPAC name is 3-ethyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-ethyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
PubChem CID91917222
Molecular FormulaC13H12N4O2
Molecular Weight256.26 g/mol
Exact Mass256.10
IUPAC Name3-ethyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole
SMILESCCc1noc(-c2nc(-c3ccccc3C)no2)n1
InChIInChI=1S/C13H12N4O2/c1-3-10-14-12(18-16-10)13-15-11(17-19-13)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3
InChIKeyJYFDLDPKKMICRM-UHFFFAOYSA-N
XLogP2.66
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.26
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-ethyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-ethyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole (CID 91917222) is 3-ethyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-ethyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-ethyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole is CCc1noc(-c2nc(-c3ccccc3C)no2)n1.
What is the InChIKey of 3-ethyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
The InChIKey is JYFDLDPKKMICRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O2/c1-3-10-14-12(18-16-10)13-15-11(17-19-13)9-7-5-4-6-8(9)2/h4-7H,3H2,1-2H3.
What are the key properties of 3-ethyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole?
3-ethyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole has a molecular weight of 256.26 g/mol, XLogP of 2.66, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-5-[3-(2-methylphenyl)-1,2,4-oxadiazol-5-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 91917222), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).