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

C12H19BrN2O — CID 66476470

IUPAC2-(1-bromopropyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(C2C(C)(C)C2(C)C)o1
InChIInChI=1S/C12H19BrN2O/c1-6-7(13)9-14-15-10(16-9)8-11(2,3)12(8,4)5/h7-8H,6H2,1-5H3
InChIKeyWFYCLRUSQQJKCN-UHFFFAOYSA-N
MW287.20 g/mol
LogP4.07
Rot. Bonds3

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

2-(1-bromopropyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazole (PubChem CID 66476470) has the molecular formula C12H19BrN2O and a molecular weight of 287.20 g/mol. Its IUPAC name is 2-(1-bromopropyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(1-bromopropyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazole
PubChem CID66476470
Molecular FormulaC12H19BrN2O
Molecular Weight287.20 g/mol
Exact Mass286.07
IUPAC Name2-(1-bromopropyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazole
SMILESCCC(Br)c1nnc(C2C(C)(C)C2(C)C)o1
InChIInChI=1S/C12H19BrN2O/c1-6-7(13)9-14-15-10(16-9)8-11(2,3)12(8,4)5/h7-8H,6H2,1-5H3
InChIKeyWFYCLRUSQQJKCN-UHFFFAOYSA-N
XLogP4.07
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.20
LogP ≤ 54.07
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 2-(1-bromopropyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazole?
The IUPAC name of 2-(1-bromopropyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazole (CID 66476470) is 2-(1-bromopropyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-(1-bromopropyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-(1-bromopropyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazole is CCC(Br)c1nnc(C2C(C)(C)C2(C)C)o1.
What is the InChIKey of 2-(1-bromopropyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazole?
The InChIKey is WFYCLRUSQQJKCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19BrN2O/c1-6-7(13)9-14-15-10(16-9)8-11(2,3)12(8,4)5/h7-8H,6H2,1-5H3.
What are the key properties of 2-(1-bromopropyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazole?
2-(1-bromopropyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazole has a molecular weight of 287.20 g/mol, XLogP of 4.07, 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-(2,2,3,3-tetramethylcyclopropyl)-1,3,4-oxadiazole is sourced from PubChem (CID 66476470), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).