3-(bromomethyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole

C10H15BrN2O — CID 130536071

IUPAC3-(bromomethyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole
SMILESCC1(C)C(c2nc(CBr)no2)C1(C)C
InChIInChI=1S/C10H15BrN2O/c1-9(2)7(10(9,3)4)8-12-6(5-11)13-14-8/h7H,5H2,1-4H3
InChIKeyXBXXZVKKORJWKR-UHFFFAOYSA-N
MW259.15 g/mol
LogP3.11
Rot. Bonds2

About 3-(bromomethyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole

3-(bromomethyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole (PubChem CID 130536071) has the molecular formula C10H15BrN2O and a molecular weight of 259.15 g/mol. Its IUPAC name is 3-(bromomethyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(bromomethyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole
PubChem CID130536071
Molecular FormulaC10H15BrN2O
Molecular Weight259.15 g/mol
Exact Mass258.04
IUPAC Name3-(bromomethyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole
SMILESCC1(C)C(c2nc(CBr)no2)C1(C)C
InChIInChI=1S/C10H15BrN2O/c1-9(2)7(10(9,3)4)8-12-6(5-11)13-14-8/h7H,5H2,1-4H3
InChIKeyXBXXZVKKORJWKR-UHFFFAOYSA-N
XLogP3.11
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.15
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(bromomethyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole (CID 130536071) is 3-(bromomethyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(bromomethyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(bromomethyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole is CC1(C)C(c2nc(CBr)no2)C1(C)C.
What is the InChIKey of 3-(bromomethyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole?
The InChIKey is XBXXZVKKORJWKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O/c1-9(2)7(10(9,3)4)8-12-6(5-11)13-14-8/h7H,5H2,1-4H3.
What are the key properties of 3-(bromomethyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole?
3-(bromomethyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole has a molecular weight of 259.15 g/mol, XLogP of 3.11, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 130536071), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).