5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole

C15H20N4O2 — CID 171503811

IUPAC5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole
SMILESCCC1CCC(c2nc(-c3ccc(OC)nn3)no2)CC1
InChIInChI=1S/C15H20N4O2/c1-3-10-4-6-11(7-5-10)15-16-14(19-21-15)12-8-9-13(20-2)18-17-12/h8-11H,3-7H2,1-2H3
InChIKeyOBRJHYNSRBUVGY-UHFFFAOYSA-N
MW288.35 g/mol
LogP3.22
Rot. Bonds4

About 5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole

5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole (PubChem CID 171503811) has the molecular formula C15H20N4O2 and a molecular weight of 288.35 g/mol. Its IUPAC name is 5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole
PubChem CID171503811
Molecular FormulaC15H20N4O2
Molecular Weight288.35 g/mol
Exact Mass288.16
IUPAC Name5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole
SMILESCCC1CCC(c2nc(-c3ccc(OC)nn3)no2)CC1
InChIInChI=1S/C15H20N4O2/c1-3-10-4-6-11(7-5-10)15-16-14(19-21-15)12-8-9-13(20-2)18-17-12/h8-11H,3-7H2,1-2H3
InChIKeyOBRJHYNSRBUVGY-UHFFFAOYSA-N
XLogP3.22
TPSA73.93 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.35
LogP ≤ 53.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 171503859
4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 103375309
cis-(1S,3R)-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323669
N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103375343
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 103372772
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474258
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]pentan-3-amine
CID 103372928
[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 103375154
3-(6-methoxypyridazin-3-yl)-5-(pyrrolidin-2-ylmethyl)-1,2,4-oxadiazole
CID 103372840
3-(4-bromophenyl)-5-(4-propylcyclohexyl)-1,2,4-oxadiazole
CID 3095342
1-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]butan-2-ol
CID 103375297
3-(6-bromo-5-methoxy-2-pyridinyl)-5-cyclobutyl-1,2,4-oxadiazole
CID 136561315

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole?
The IUPAC name of 5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole (CID 171503811) is 5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole is CCC1CCC(c2nc(-c3ccc(OC)nn3)no2)CC1.
What is the InChIKey of 5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole?
The InChIKey is OBRJHYNSRBUVGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N4O2/c1-3-10-4-6-11(7-5-10)15-16-14(19-21-15)12-8-9-13(20-2)18-17-12/h8-11H,3-7H2,1-2H3.
What are the key properties of 5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole?
5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole has a molecular weight of 288.35 g/mol, XLogP of 3.22, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole is sourced from PubChem (CID 171503811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).