3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol

C15H18N2O2 — CID 82830760

IUPAC3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol
SMILESCc1c(O)cccc1-c1nc(C2CCCCC2)no1
InChIInChI=1S/C15H18N2O2/c1-10-12(8-5-9-13(10)18)15-16-14(17-19-15)11-6-3-2-4-7-11/h5,8-9,11,18H,2-4,6-7H2,1H3
InChIKeyWVTRABQBVPIDIS-UHFFFAOYSA-N
MW258.32 g/mol
LogP3.80
Rot. Bonds2

About 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol

3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol (PubChem CID 82830760) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol.

Molecular Properties

Compound Name3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol
PubChem CID82830760
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol
SMILESCc1c(O)cccc1-c1nc(C2CCCCC2)no1
InChIInChI=1S/C15H18N2O2/c1-10-12(8-5-9-13(10)18)15-16-14(17-19-15)11-6-3-2-4-7-11/h5,8-9,11,18H,2-4,6-7H2,1H3
InChIKeyWVTRABQBVPIDIS-UHFFFAOYSA-N
XLogP3.80
TPSA59.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 53.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813508
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)benzene-1,3-diol
CID 136813482
2-amino-6-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)phenol
CID 136712774
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136789963
2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-fluorophenol
CID 136789933
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-4-methylaniline
CID 80609645
2-methyl-3-[3-(oxolan-2-ylmethyl)-1,2,4-oxadiazol-5-yl]phenol
CID 82831134
2-methyl-3-[3-(4-methylmorpholin-2-yl)-1,2,4-oxadiazol-5-yl]phenol
CID 82831065
2-methyl-3-(3-pyrimidin-2-yl-1,2,4-oxadiazol-5-yl)phenol
CID 82830253
3-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-5-methylthiophen-2-amine
CID 65389514
3-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)naphthalen-2-amine
CID 60921785
3-[3-[cyclopropyl(ethoxy)methyl]-1,2,4-oxadiazol-5-yl]-2-methylphenol
CID 116733875

Frequently Asked Questions

What is the IUPAC name of 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol?
The IUPAC name of 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol (CID 82830760) is 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol.
What is the SMILES notation for 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol?
The canonical SMILES for 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol is Cc1c(O)cccc1-c1nc(C2CCCCC2)no1.
What is the InChIKey of 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol?
The InChIKey is WVTRABQBVPIDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-12(8-5-9-13(10)18)15-16-14(17-19-15)11-6-3-2-4-7-11/h5,8-9,11,18H,2-4,6-7H2,1H3.
What are the key properties of 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol?
3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol has a molecular weight of 258.32 g/mol, XLogP of 3.80, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)-2-methylphenol is sourced from PubChem (CID 82830760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).