4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol

C13H16N4O3 — CID 103375309

IUPAC4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESCOc1ccc(-c2noc(C3CCC(O)CC3)n2)nn1
InChIInChI=1S/C13H16N4O3/c1-19-11-7-6-10(15-16-11)12-14-13(20-17-12)8-2-4-9(18)5-3-8/h6-9,18H,2-5H2,1H3
InChIKeyFVTCZIQSQJFBEK-UHFFFAOYSA-N
MW276.30 g/mol
LogP1.55
Rot. Bonds3

About 4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol

4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (PubChem CID 103375309) has the molecular formula C13H16N4O3 and a molecular weight of 276.30 g/mol. Its IUPAC name is 4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
PubChem CID103375309
Molecular FormulaC13H16N4O3
Molecular Weight276.30 g/mol
Exact Mass276.12
IUPAC Name4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESCOc1ccc(-c2noc(C3CCC(O)CC3)n2)nn1
InChIInChI=1S/C13H16N4O3/c1-19-11-7-6-10(15-16-11)12-14-13(20-17-12)8-2-4-9(18)5-3-8/h6-9,18H,2-5H2,1H3
InChIKeyFVTCZIQSQJFBEK-UHFFFAOYSA-N
XLogP1.55
TPSA94.16 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.30
LogP ≤ 51.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

5-(4-ethylcyclohexyl)-3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazole
CID 171503811
ethane;[4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexyl]methanamine
CID 171503859
cis-(1S,3R)-3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323669
3-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]oxan-4-ol
CID 106474258
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-amine
CID 103372772
4-[3-(2-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63346269
N-ethyl-2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 103375343
4-[3-(4-fluoro-3-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 107923168
[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]hydrazine
CID 103375154
4-[3-(2-methylfuran-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 104790960
4-[3-(1H-pyrrol-2-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 136990360
2-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]benzene-1,3-diol
CID 136813576

Frequently Asked Questions

What is the IUPAC name of 4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (CID 103375309) is 4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is COc1ccc(-c2noc(C3CCC(O)CC3)n2)nn1.
What is the InChIKey of 4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The InChIKey is FVTCZIQSQJFBEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N4O3/c1-19-11-7-6-10(15-16-11)12-14-13(20-17-12)8-2-4-9(18)5-3-8/h6-9,18H,2-5H2,1H3.
What are the key properties of 4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol has a molecular weight of 276.30 g/mol, XLogP of 1.55, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(6-methoxypyridazin-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 103375309), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).