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

C7H9BrN2O2 — CID 114824090

IUPAC2-bromo-5-(5-methyloxolan-3-yl)-1,3,4-oxadiazole
SMILESCC1CC(c2nnc(Br)o2)CO1
InChIInChI=1S/C7H9BrN2O2/c1-4-2-5(3-11-4)6-9-10-7(8)12-6/h4-5H,2-3H2,1H3
InChIKeySKGWBPYEWCXQGU-UHFFFAOYSA-N
MW233.06 g/mol
LogP1.72
Rot. Bonds1

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

2-bromo-5-(5-methyloxolan-3-yl)-1,3,4-oxadiazole (PubChem CID 114824090) has the molecular formula C7H9BrN2O2 and a molecular weight of 233.06 g/mol. Its IUPAC name is 2-bromo-5-(5-methyloxolan-3-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(5-methyloxolan-3-yl)-1,3,4-oxadiazole
PubChem CID114824090
Molecular FormulaC7H9BrN2O2
Molecular Weight233.06 g/mol
Exact Mass231.98
IUPAC Name2-bromo-5-(5-methyloxolan-3-yl)-1,3,4-oxadiazole
SMILESCC1CC(c2nnc(Br)o2)CO1
InChIInChI=1S/C7H9BrN2O2/c1-4-2-5(3-11-4)6-9-10-7(8)12-6/h4-5H,2-3H2,1H3
InChIKeySKGWBPYEWCXQGU-UHFFFAOYSA-N
XLogP1.72
TPSA48.15 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.06
LogP ≤ 51.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-methyloxolan-3-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(5-methyloxolan-3-yl)-1,3,4-oxadiazole (CID 114824090) is 2-bromo-5-(5-methyloxolan-3-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(5-methyloxolan-3-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(5-methyloxolan-3-yl)-1,3,4-oxadiazole is CC1CC(c2nnc(Br)o2)CO1.
What is the InChIKey of 2-bromo-5-(5-methyloxolan-3-yl)-1,3,4-oxadiazole?
The InChIKey is SKGWBPYEWCXQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9BrN2O2/c1-4-2-5(3-11-4)6-9-10-7(8)12-6/h4-5H,2-3H2,1H3.
What are the key properties of 2-bromo-5-(5-methyloxolan-3-yl)-1,3,4-oxadiazole?
2-bromo-5-(5-methyloxolan-3-yl)-1,3,4-oxadiazole has a molecular weight of 233.06 g/mol, XLogP of 1.72, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(5-methyloxolan-3-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 114824090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).