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

C15H17BrN2O — CID 558070

IUPAC3-(4-bromophenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole
SMILESCC1(C)C(c2nc(-c3ccc(Br)cc3)no2)C1(C)C
InChIInChI=1S/C15H17BrN2O/c1-14(2)11(15(14,3)4)13-17-12(18-19-13)9-5-7-10(16)8-6-9/h5-8,11H,1-4H3
InChIKeyWIXOBVWSPOHBMH-UHFFFAOYSA-N
MW321.22 g/mol
LogP4.65
Rot. Bonds2

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

3-(4-bromophenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole (PubChem CID 558070) has the molecular formula C15H17BrN2O and a molecular weight of 321.22 g/mol. Its IUPAC name is 3-(4-bromophenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4-bromophenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole
PubChem CID558070
Molecular FormulaC15H17BrN2O
Molecular Weight321.22 g/mol
Exact Mass320.05
IUPAC Name3-(4-bromophenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole
SMILESCC1(C)C(c2nc(-c3ccc(Br)cc3)no2)C1(C)C
InChIInChI=1S/C15H17BrN2O/c1-14(2)11(15(14,3)4)13-17-12(18-19-13)9-5-7-10(16)8-6-9/h5-8,11H,1-4H3
InChIKeyWIXOBVWSPOHBMH-UHFFFAOYSA-N
XLogP4.65
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.22
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(4-bromophenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole (CID 558070) is 3-(4-bromophenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4-bromophenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(4-bromophenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole is CC1(C)C(c2nc(-c3ccc(Br)cc3)no2)C1(C)C.
What is the InChIKey of 3-(4-bromophenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole?
The InChIKey is WIXOBVWSPOHBMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O/c1-14(2)11(15(14,3)4)13-17-12(18-19-13)9-5-7-10(16)8-6-9/h5-8,11H,1-4H3.
What are the key properties of 3-(4-bromophenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole?
3-(4-bromophenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole has a molecular weight of 321.22 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)-5-(2,2,3,3-tetramethylcyclopropyl)-1,2,4-oxadiazole is sourced from PubChem (CID 558070), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).