5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

C16H20N2O2 — CID 888719

IUPAC5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CC3CCCCC3)n2)cc1
InChIInChI=1S/C16H20N2O2/c1-19-14-9-7-13(8-10-14)16-17-15(20-18-16)11-12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3
InChIKeyHMBCEDVTSJAYLW-UHFFFAOYSA-N
MW272.35 g/mol
LogP3.87
Rot. Bonds4

About 5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole

5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (PubChem CID 888719) has the molecular formula C16H20N2O2 and a molecular weight of 272.35 g/mol. Its IUPAC name is 5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
PubChem CID888719
Molecular FormulaC16H20N2O2
Molecular Weight272.35 g/mol
Exact Mass272.15
IUPAC Name5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
SMILESCOc1ccc(-c2noc(CC3CCCCC3)n2)cc1
InChIInChI=1S/C16H20N2O2/c1-19-14-9-7-13(8-10-14)16-17-15(20-18-16)11-12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3
InChIKeyHMBCEDVTSJAYLW-UHFFFAOYSA-N
XLogP3.87
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.35
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-methoxyphenyl)-5-[(1-methylpyrrolidin-3-yl)methyl]-1,2,4-oxadiazole
CID 154771153
5-(cyclohexylmethyl)-3-pyridin-4-yl-1,2,4-oxadiazole
CID 667308
5-(cyclohexylmethyl)-3-(4-decylphenyl)-1,2,4-oxadiazole
CID 165054074
2-(4-methoxyphenoxy)-1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]ethanone
CID 91916671
1-[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-2-(4-methylphenyl)ethanone
CID 91888761
[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methanethiol
CID 30028427
1-cyclopropyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanone
CID 63344667
[4-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-1-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 91906458
N-cycloheptyl-3-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]propanamide
CID 16594216
1-cyclopropyl-2-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]ethanol
CID 63345772
1-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]piperidin-4-amine;hydrochloride
CID 119908822
N-ethyl-N-[[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]methyl]cyclohexanecarboxamide
CID 6464149

Frequently Asked Questions

What is the IUPAC name of 5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole (CID 888719) is 5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is COc1ccc(-c2noc(CC3CCCCC3)n2)cc1.
What is the InChIKey of 5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
The InChIKey is HMBCEDVTSJAYLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2/c1-19-14-9-7-13(8-10-14)16-17-15(20-18-16)11-12-5-3-2-4-6-12/h7-10,12H,2-6,11H2,1H3.
What are the key properties of 5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole?
5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole has a molecular weight of 272.35 g/mol, XLogP of 3.87, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(cyclohexylmethyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 888719), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).