3-(3-methoxyphenyl)-5-[3-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazole

C18H16N6O3 — CID 70716132

IUPAC3-(3-methoxyphenyl)-5-[3-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(CCCc3nc(-c4cccnn4)no3)n2)c1
InChIInChI=1S/C18H16N6O3/c1-25-13-6-2-5-12(11-13)17-20-15(26-23-17)8-3-9-16-21-18(24-27-16)14-7-4-10-19-22-14/h2,4-7,10-11H,3,8-9H2,1H3
InChIKeyUWRFLZNNMDMRGZ-UHFFFAOYSA-N
MW364.37 g/mol
LogP2.76
Rot. Bonds7

About 3-(3-methoxyphenyl)-5-[3-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazole

3-(3-methoxyphenyl)-5-[3-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazole (PubChem CID 70716132) has the molecular formula C18H16N6O3 and a molecular weight of 364.37 g/mol. Its IUPAC name is 3-(3-methoxyphenyl)-5-[3-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(3-methoxyphenyl)-5-[3-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazole
PubChem CID70716132
Molecular FormulaC18H16N6O3
Molecular Weight364.37 g/mol
Exact Mass364.13
IUPAC Name3-(3-methoxyphenyl)-5-[3-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazole
SMILESCOc1cccc(-c2noc(CCCc3nc(-c4cccnn4)no3)n2)c1
InChIInChI=1S/C18H16N6O3/c1-25-13-6-2-5-12(11-13)17-20-15(26-23-17)8-3-9-16-21-18(24-27-16)14-7-4-10-19-22-14/h2,4-7,10-11H,3,8-9H2,1H3
InChIKeyUWRFLZNNMDMRGZ-UHFFFAOYSA-N
XLogP2.76
TPSA112.85 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.37
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 3-(3-methoxyphenyl)-5-[3-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazole?
The IUPAC name of 3-(3-methoxyphenyl)-5-[3-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazole (CID 70716132) is 3-(3-methoxyphenyl)-5-[3-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(3-methoxyphenyl)-5-[3-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(3-methoxyphenyl)-5-[3-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazole is COc1cccc(-c2noc(CCCc3nc(-c4cccnn4)no3)n2)c1.
What is the InChIKey of 3-(3-methoxyphenyl)-5-[3-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazole?
The InChIKey is UWRFLZNNMDMRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N6O3/c1-25-13-6-2-5-12(11-13)17-20-15(26-23-17)8-3-9-16-21-18(24-27-16)14-7-4-10-19-22-14/h2,4-7,10-11H,3,8-9H2,1H3.
What are the key properties of 3-(3-methoxyphenyl)-5-[3-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazole?
3-(3-methoxyphenyl)-5-[3-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazole has a molecular weight of 364.37 g/mol, XLogP of 2.76, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-methoxyphenyl)-5-[3-(3-pyridazin-3-yl-1,2,4-oxadiazol-5-yl)propyl]-1,2,4-oxadiazole is sourced from PubChem (CID 70716132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).