5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole

C11H17BrN2O — CID 62854721

IUPAC5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole
SMILESCCC(Br)c1nc(C2CCCCC2)no1
InChIInChI=1S/C11H17BrN2O/c1-2-9(12)11-13-10(14-15-11)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
InChIKeyFXAQJPLLFJUBOQ-UHFFFAOYSA-N
MW273.17 g/mol
LogP3.96
Rot. Bonds3

About 5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole

5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole (PubChem CID 62854721) has the molecular formula C11H17BrN2O and a molecular weight of 273.17 g/mol. Its IUPAC name is 5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole
PubChem CID62854721
Molecular FormulaC11H17BrN2O
Molecular Weight273.17 g/mol
Exact Mass272.05
IUPAC Name5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole
SMILESCCC(Br)c1nc(C2CCCCC2)no1
InChIInChI=1S/C11H17BrN2O/c1-2-9(12)11-13-10(14-15-11)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3
InChIKeyFXAQJPLLFJUBOQ-UHFFFAOYSA-N
XLogP3.96
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500273.17
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)-N-ethylpentan-3-amine
CID 80610609
2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)pentan-3-one
CID 80610154
(1R)-1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)ethanamine
CID 104880933
N-[1-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)ethyl]propan-1-amine
CID 63349207
(2S)-2-amino-2-(3-cyclooctyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915877
(2S)-2-amino-2-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)ethanol
CID 104915781
(2R)-2-amino-2-(3-cyclohexyl-1,2,4-oxadiazol-5-yl)ethanol
CID 92689985
2-(3-cyclopentyl-1,2,4-oxadiazol-5-yl)pentan-1-amine
CID 65222397
(3-cycloheptyl-1,2,4-oxadiazol-5-yl)-cyclohexylmethanamine
CID 65389317
1-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-ethylethanamine
CID 64985920
(1S,2R)-1-amino-1-(3-cycloheptyl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 104965493
2-(3-cyclobutyl-1,2,4-oxadiazol-5-yl)-N-methylpentan-3-amine
CID 64985592

Frequently Asked Questions

What is the IUPAC name of 5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole?
The IUPAC name of 5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole (CID 62854721) is 5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole.
What is the SMILES notation for 5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole?
The canonical SMILES for 5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole is CCC(Br)c1nc(C2CCCCC2)no1.
What is the InChIKey of 5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole?
The InChIKey is FXAQJPLLFJUBOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17BrN2O/c1-2-9(12)11-13-10(14-15-11)8-6-4-3-5-7-8/h8-9H,2-7H2,1H3.
What are the key properties of 5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole?
5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole has a molecular weight of 273.17 g/mol, XLogP of 3.96, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole is sourced from PubChem (CID 62854721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).