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

C13H12Br2N2O — CID 114369729

IUPAC2-cyclopentyl-5-(2,5-dibromophenyl)-1,3,4-oxadiazole
SMILESBrc1ccc(Br)c(-c2nnc(C3CCCC3)o2)c1
InChIInChI=1S/C13H12Br2N2O/c14-9-5-6-11(15)10(7-9)13-17-16-12(18-13)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyWKRJCVAVTSKYSZ-UHFFFAOYSA-N
MW372.06 g/mol
LogP4.92
Rot. Bonds2

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

2-cyclopentyl-5-(2,5-dibromophenyl)-1,3,4-oxadiazole (PubChem CID 114369729) has the molecular formula C13H12Br2N2O and a molecular weight of 372.06 g/mol. Its IUPAC name is 2-cyclopentyl-5-(2,5-dibromophenyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-cyclopentyl-5-(2,5-dibromophenyl)-1,3,4-oxadiazole
PubChem CID114369729
Molecular FormulaC13H12Br2N2O
Molecular Weight372.06 g/mol
Exact Mass369.93
IUPAC Name2-cyclopentyl-5-(2,5-dibromophenyl)-1,3,4-oxadiazole
SMILESBrc1ccc(Br)c(-c2nnc(C3CCCC3)o2)c1
InChIInChI=1S/C13H12Br2N2O/c14-9-5-6-11(15)10(7-9)13-17-16-12(18-13)8-3-1-2-4-8/h5-8H,1-4H2
InChIKeyWKRJCVAVTSKYSZ-UHFFFAOYSA-N
XLogP4.92
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.06
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-cyclopentyl-5-(2,5-dibromophenyl)-1,3,4-oxadiazole?
The IUPAC name of 2-cyclopentyl-5-(2,5-dibromophenyl)-1,3,4-oxadiazole (CID 114369729) is 2-cyclopentyl-5-(2,5-dibromophenyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-cyclopentyl-5-(2,5-dibromophenyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-cyclopentyl-5-(2,5-dibromophenyl)-1,3,4-oxadiazole is Brc1ccc(Br)c(-c2nnc(C3CCCC3)o2)c1.
What is the InChIKey of 2-cyclopentyl-5-(2,5-dibromophenyl)-1,3,4-oxadiazole?
The InChIKey is WKRJCVAVTSKYSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Br2N2O/c14-9-5-6-11(15)10(7-9)13-17-16-12(18-13)8-3-1-2-4-8/h5-8H,1-4H2.
What are the key properties of 2-cyclopentyl-5-(2,5-dibromophenyl)-1,3,4-oxadiazole?
2-cyclopentyl-5-(2,5-dibromophenyl)-1,3,4-oxadiazole has a molecular weight of 372.06 g/mol, XLogP of 4.92, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopentyl-5-(2,5-dibromophenyl)-1,3,4-oxadiazole is sourced from PubChem (CID 114369729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).