3-(5-bromo-3-pyridinyl)-5-(2-methylcyclopentyl)-1,2,4-oxadiazole

C13H14BrN3O — CID 136531195

IUPAC3-(5-bromo-3-pyridinyl)-5-(2-methylcyclopentyl)-1,2,4-oxadiazole
SMILESCC1CCCC1c1nc(-c2cncc(Br)c2)no1
InChIInChI=1S/C13H14BrN3O/c1-8-3-2-4-11(8)13-16-12(17-18-13)9-5-10(14)7-15-6-9/h5-8,11H,2-4H2,1H3
InChIKeyYHVCURSVIQXLPN-UHFFFAOYSA-N
MW308.18 g/mol
LogP3.80
Rot. Bonds2

About 3-(5-bromo-3-pyridinyl)-5-(2-methylcyclopentyl)-1,2,4-oxadiazole

3-(5-bromo-3-pyridinyl)-5-(2-methylcyclopentyl)-1,2,4-oxadiazole (PubChem CID 136531195) has the molecular formula C13H14BrN3O and a molecular weight of 308.18 g/mol. Its IUPAC name is 3-(5-bromo-3-pyridinyl)-5-(2-methylcyclopentyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(5-bromo-3-pyridinyl)-5-(2-methylcyclopentyl)-1,2,4-oxadiazole
PubChem CID136531195
Molecular FormulaC13H14BrN3O
Molecular Weight308.18 g/mol
Exact Mass307.03
IUPAC Name3-(5-bromo-3-pyridinyl)-5-(2-methylcyclopentyl)-1,2,4-oxadiazole
SMILESCC1CCCC1c1nc(-c2cncc(Br)c2)no1
InChIInChI=1S/C13H14BrN3O/c1-8-3-2-4-11(8)13-16-12(17-18-13)9-5-10(14)7-15-6-9/h5-8,11H,2-4H2,1H3
InChIKeyYHVCURSVIQXLPN-UHFFFAOYSA-N
XLogP3.80
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.18
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(5-bromo-3-pyridinyl)-5-(2-methylcyclopentyl)-1,2,4-oxadiazole?
The IUPAC name of 3-(5-bromo-3-pyridinyl)-5-(2-methylcyclopentyl)-1,2,4-oxadiazole (CID 136531195) is 3-(5-bromo-3-pyridinyl)-5-(2-methylcyclopentyl)-1,2,4-oxadiazole.
What is the SMILES notation for 3-(5-bromo-3-pyridinyl)-5-(2-methylcyclopentyl)-1,2,4-oxadiazole?
The canonical SMILES for 3-(5-bromo-3-pyridinyl)-5-(2-methylcyclopentyl)-1,2,4-oxadiazole is CC1CCCC1c1nc(-c2cncc(Br)c2)no1.
What is the InChIKey of 3-(5-bromo-3-pyridinyl)-5-(2-methylcyclopentyl)-1,2,4-oxadiazole?
The InChIKey is YHVCURSVIQXLPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14BrN3O/c1-8-3-2-4-11(8)13-16-12(17-18-13)9-5-10(14)7-15-6-9/h5-8,11H,2-4H2,1H3.
What are the key properties of 3-(5-bromo-3-pyridinyl)-5-(2-methylcyclopentyl)-1,2,4-oxadiazole?
3-(5-bromo-3-pyridinyl)-5-(2-methylcyclopentyl)-1,2,4-oxadiazole has a molecular weight of 308.18 g/mol, XLogP of 3.80, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-bromo-3-pyridinyl)-5-(2-methylcyclopentyl)-1,2,4-oxadiazole is sourced from PubChem (CID 136531195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).