2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole

C6H7BrN2O2 — CID 114771335

IUPAC2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole
SMILESBrc1nnc(C2CCOC2)o1
InChIInChI=1S/C6H7BrN2O2/c7-6-9-8-5(11-6)4-1-2-10-3-4/h4H,1-3H2
InChIKeyZLKWAKIUDWMTAS-UHFFFAOYSA-N
MW219.04 g/mol
LogP1.34
Rot. Bonds1

About 2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole

2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole (PubChem CID 114771335) has the molecular formula C6H7BrN2O2 and a molecular weight of 219.04 g/mol. Its IUPAC name is 2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole
PubChem CID114771335
Molecular FormulaC6H7BrN2O2
Molecular Weight219.04 g/mol
Exact Mass217.97
IUPAC Name2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole
SMILESBrc1nnc(C2CCOC2)o1
InChIInChI=1S/C6H7BrN2O2/c7-6-9-8-5(11-6)4-1-2-10-3-4/h4H,1-3H2
InChIKeyZLKWAKIUDWMTAS-UHFFFAOYSA-N
XLogP1.34
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.04
LogP ≤ 51.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole (CID 114771335) is 2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole is Brc1nnc(C2CCOC2)o1.
What is the InChIKey of 2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole?
The InChIKey is ZLKWAKIUDWMTAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H7BrN2O2/c7-6-9-8-5(11-6)4-1-2-10-3-4/h4H,1-3H2.
What are the key properties of 2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole?
2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole has a molecular weight of 219.04 g/mol, XLogP of 1.34, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(oxolan-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).