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

C15H18N2O3 — CID 63345681

IUPAC2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESCOc1ccc(-c2noc(C3CCCCC3O)n2)cc1
InChIInChI=1S/C15H18N2O3/c1-19-11-8-6-10(7-9-11)14-16-15(20-17-14)12-4-2-3-5-13(12)18/h6-9,12-13,18H,2-5H2,1H3
InChIKeyARQJLNYTSRUZEL-UHFFFAOYSA-N
MW274.32 g/mol
LogP2.76
Rot. Bonds3

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

2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (PubChem CID 63345681) has the molecular formula C15H18N2O3 and a molecular weight of 274.32 g/mol. Its IUPAC name is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
PubChem CID63345681
Molecular FormulaC15H18N2O3
Molecular Weight274.32 g/mol
Exact Mass274.13
IUPAC Name2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
SMILESCOc1ccc(-c2noc(C3CCCCC3O)n2)cc1
InChIInChI=1S/C15H18N2O3/c1-19-11-8-6-10(7-9-11)14-16-15(20-17-14)12-4-2-3-5-13(12)18/h6-9,12-13,18H,2-5H2,1H3
InChIKeyARQJLNYTSRUZEL-UHFFFAOYSA-N
XLogP2.76
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-(3,5-dimethoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 103399802
2-[3-(4-methylsulfanylphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 106849964
trans-(1S,2S)-2-[3-(6-pentoxynaphthalen-2-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 159219508
2-[3-(3-bromophenyl)-1,2,4-oxadiazol-5-yl]cycloheptan-1-ol
CID 63346258
(3R,5R)-5-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]pyrrolidin-3-ol
CID 104912169
2-[3-(1-methylpyrazol-3-yl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol
CID 65198281
3-(4-methoxyphenyl)-5-[(3R)-pyrrolidin-3-yl]-1,2,4-oxadiazole
CID 120838044
cis-(1S,3R)-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-amine
CID 106323187
1-[(2S)-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidin-1-yl]-2-methylpropan-1-one
CID 812478
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]piperidine-1-carboxylic acid
CID 154385499
3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclopentane-1-carboxylic acid
CID 103552019
2-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]cyclopentan-1-ol
CID 102953014

Frequently Asked Questions

What is the IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The IUPAC name of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol (CID 63345681) is 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol.
What is the SMILES notation for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The canonical SMILES for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is COc1ccc(-c2noc(C3CCCCC3O)n2)cc1.
What is the InChIKey of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
The InChIKey is ARQJLNYTSRUZEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O3/c1-19-11-8-6-10(7-9-11)14-16-15(20-17-14)12-4-2-3-5-13(12)18/h6-9,12-13,18H,2-5H2,1H3.
What are the key properties of 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol?
2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol has a molecular weight of 274.32 g/mol, XLogP of 2.76, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]cyclohexan-1-ol is sourced from PubChem (CID 63345681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).