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

C10H15BrN2O — CID 62856349

IUPAC2-(1-bromopropyl)-5-cyclopentyl-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(C2CCCC2)o1
InChIInChI=1S/C10H15BrN2O/c1-2-8(11)10-13-12-9(14-10)7-5-3-4-6-7/h7-8H,2-6H2,1H3
InChIKeyMBISBZKEACBBST-UHFFFAOYSA-N
MW259.15 g/mol
LogP3.57
Rot. Bonds3

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

2-(1-bromopropyl)-5-cyclopentyl-1,3,4-oxadiazole (PubChem CID 62856349) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 2-(1-bromopropyl)-5-cyclopentyl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-bromopropyl)-5-cyclopentyl-1,3,4-oxadiazole
PubChem CID62856349
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name2-(1-bromopropyl)-5-cyclopentyl-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(C2CCCC2)o1
InChIInChI=1S/C10H15BrN2O/c1-2-8(11)10-13-12-9(14-10)7-5-3-4-6-7/h7-8H,2-6H2,1H3
InChIKeyMBISBZKEACBBST-UHFFFAOYSA-N
XLogP3.57
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 53.57
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-(1-bromopropyl)-5-(oxan-3-yl)-1,3,4-oxadiazole
CID 63012070
2-(1-bromopropyl)-5-(2,2-dimethylcyclopropyl)-1,3,4-oxadiazole
CID 107000560
2-(1-bromopropyl)-5-(2-methyloxolan-3-yl)-1,3,4-oxadiazole
CID 79759200
2-(1-bromopropyl)-5-(cycloheptylmethyl)-1,3,4-oxadiazole
CID 114457250
2-cyclohexyl-5-(difluoromethyl)-1,3,4-oxadiazole;ethane
CID 153404817
1-(5-cyclobutyl-1,3,4-oxadiazol-2-yl)ethanamine
CID 62072169
1-(5-cyclopropyl-1,3,4-oxadiazol-2-yl)-N-ethylpropan-1-amine
CID 62859118
2-cyclohexyl-5-methyl-1,3,4-oxadiazole;propane
CID 153404775
2-cyclobutyl-5-[(1S)-1-methoxyethyl]-1,3,4-oxadiazole
CID 131201326
5-(1-bromopropyl)-3-cyclohexyl-1,2,4-oxadiazole
CID 62854721
2-bromo-5-cyclooctyl-1,3,4-oxadiazole
CID 114771199
2-(1-bromopropyl)-5-tert-butyl-1,3,4-oxadiazole
CID 62856380

Frequently Asked Questions

What is the IUPAC name of 2-(1-bromopropyl)-5-cyclopentyl-1,3,4-oxadiazole?
The IUPAC name of 2-(1-bromopropyl)-5-cyclopentyl-1,3,4-oxadiazole (CID 62856349) is 2-(1-bromopropyl)-5-cyclopentyl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-bromopropyl)-5-cyclopentyl-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-bromopropyl)-5-cyclopentyl-1,3,4-oxadiazole is CCC(Br)c1nnc(C2CCCC2)o1.
What is the InChIKey of 2-(1-bromopropyl)-5-cyclopentyl-1,3,4-oxadiazole?
The InChIKey is MBISBZKEACBBST-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-2-8(11)10-13-12-9(14-10)7-5-3-4-6-7/h7-8H,2-6H2,1H3.
What are the key properties of 2-(1-bromopropyl)-5-cyclopentyl-1,3,4-oxadiazole?
2-(1-bromopropyl)-5-cyclopentyl-1,3,4-oxadiazole has a molecular weight of 259.15 g/mol, XLogP of 3.57, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-bromopropyl)-5-cyclopentyl-1,3,4-oxadiazole is sourced from PubChem (CID 62856349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).