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

C12H16N4O2 — CID 65198281

IUPAC2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESCn1ccc(-c2noc(C3CCCCC3O)n2)n1
InChIInChI=1S/C12H16N4O2/c1-16-7-6-9(14-16)11-13-12(18-15-11)8-4-2-3-5-10(8)17/h6-8,10,17H,2-5H2,1H3
InChIKeyAEBBLMOBLFZGQG-UHFFFAOYSA-N
MW248.29 g/mol
LogP1.49
Rot. Bonds2

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

2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (PubChem CID 65198281) has the molecular formula C12H16N4O2 and a molecular weight of 248.29 g/mol. Its IUPAC name is 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
PubChem CID65198281
Molecular FormulaC12H16N4O2
Molecular Weight248.29 g/mol
Exact Mass248.13
IUPAC Name2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESCn1ccc(-c2noc(C3CCCCC3O)n2)n1
InChIInChI=1S/C12H16N4O2/c1-16-7-6-9(14-16)11-13-12(18-15-11)8-4-2-3-5-10(8)17/h6-8,10,17H,2-5H2,1H3
InChIKeyAEBBLMOBLFZGQG-UHFFFAOYSA-N
XLogP1.49
TPSA76.97 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.29
LogP ≤ 51.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(1-methylpyrazol-3-yl)-5-(2-methylpyrrolidin-3-yl)-1,2,4-oxadiazole
CID 79371093
(3S,5R)-5-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 106812820
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 63345681
5-(1,2,3,3a,4,5,6,6a-octahydrocyclopenta[c]pyrrol-3-yl)-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 102894678
2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 106849964
2-[3-(3-chloro-2-pyridinyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 103445445
5-chloro-3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazole
CID 65197715
2-[3-(4-fluoro-2-methylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 81282222
2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 102953014
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 63346258
2-[3-(2-bromo-3,4-difluorophenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 107541022
2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 103399802

Frequently Asked Questions

What is the IUPAC name of 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (CID 65198281) is 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is Cn1ccc(-c2noc(C3CCCCC3O)n2)n1.
What is the InChIKey of 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The InChIKey is AEBBLMOBLFZGQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O2/c1-16-7-6-9(14-16)11-13-12(18-15-11)8-4-2-3-5-10(8)17/h6-8,10,17H,2-5H2,1H3.
What are the key properties of 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol has a molecular weight of 248.29 g/mol, XLogP of 1.49, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 65198281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).