3-(bromomethyl)-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)-1H-pyridin-2-yl]-1,2,4-oxadiazole

C15H11BrN6O2 — CID 174583294

IUPAC3-(bromomethyl)-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)-1H-pyridin-2-yl]-1,2,4-oxadiazole
SMILESBrCc1noc(C2(c3noc(-c4ccccn4)n3)C=CC=CN2)n1
InChIInChI=1S/C15H11BrN6O2/c16-9-11-19-14(24-21-11)15(6-2-4-8-18-15)13-20-12(23-22-13)10-5-1-3-7-17-10/h1-8,18H,9H2
InChIKeyOGUKUNBKRAPGPN-UHFFFAOYSA-N
MW387.20 g/mol
LogP2.33
Rot. Bonds4

About 3-(bromomethyl)-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)-1H-pyridin-2-yl]-1,2,4-oxadiazole

3-(bromomethyl)-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)-1H-pyridin-2-yl]-1,2,4-oxadiazole (PubChem CID 174583294) has the molecular formula C15H11BrN6O2 and a molecular weight of 387.20 g/mol. Its IUPAC name is 3-(bromomethyl)-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)-1H-pyridin-2-yl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(bromomethyl)-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)-1H-pyridin-2-yl]-1,2,4-oxadiazole
PubChem CID174583294
Molecular FormulaC15H11BrN6O2
Molecular Weight387.20 g/mol
Exact Mass386.01
IUPAC Name3-(bromomethyl)-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)-1H-pyridin-2-yl]-1,2,4-oxadiazole
SMILESBrCc1noc(C2(c3noc(-c4ccccn4)n3)C=CC=CN2)n1
InChIInChI=1S/C15H11BrN6O2/c16-9-11-19-14(24-21-11)15(6-2-4-8-18-15)13-20-12(23-22-13)10-5-1-3-7-17-10/h1-8,18H,9H2
InChIKeyOGUKUNBKRAPGPN-UHFFFAOYSA-N
XLogP2.33
TPSA102.76 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.20
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethanamine;hydrochloride
CID 50988726
1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-2-one
CID 115078766
N-methyl-5-pyridin-2-yl-1,2,4-oxadiazol-3-amine
CID 146482202
3-(piperidin-3-ylmethyl)-5-pyridin-2-yl-1,2,4-oxadiazole;dihydrochloride
CID 146064536
1,3-diethyl-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111427089
1-(6-methylheptan-2-yl)-2-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine;hydroiodide
CID 111807391
3-(2-piperidin-3-ylethyl)-5-pyridin-2-yl-1,2,4-oxadiazole
CID 176515486
5-(4-ethylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
CID 5346667
N-methyl-4-(3-pyridin-2-yl-1,2,4-oxadiazol-5-yl)aniline
CID 104698802
1-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)propan-1-amine
CID 61323577
3-[3-[2-(methylamino)propyl]-1,2,4-oxadiazol-5-yl]-6-pyridin-2-yl-1H-pyridin-2-one
CID 137096097
2-methyl-1-(2-phenylsulfanylethyl)-3-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)ethyl]guanidine
CID 111767321

Frequently Asked Questions

What is the IUPAC name of 3-(bromomethyl)-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)-1H-pyridin-2-yl]-1,2,4-oxadiazole?
The IUPAC name of 3-(bromomethyl)-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)-1H-pyridin-2-yl]-1,2,4-oxadiazole (CID 174583294) is 3-(bromomethyl)-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)-1H-pyridin-2-yl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-(bromomethyl)-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)-1H-pyridin-2-yl]-1,2,4-oxadiazole?
The canonical SMILES for 3-(bromomethyl)-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)-1H-pyridin-2-yl]-1,2,4-oxadiazole is BrCc1noc(C2(c3noc(-c4ccccn4)n3)C=CC=CN2)n1.
What is the InChIKey of 3-(bromomethyl)-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)-1H-pyridin-2-yl]-1,2,4-oxadiazole?
The InChIKey is OGUKUNBKRAPGPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H11BrN6O2/c16-9-11-19-14(24-21-11)15(6-2-4-8-18-15)13-20-12(23-22-13)10-5-1-3-7-17-10/h1-8,18H,9H2.
What are the key properties of 3-(bromomethyl)-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)-1H-pyridin-2-yl]-1,2,4-oxadiazole?
3-(bromomethyl)-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)-1H-pyridin-2-yl]-1,2,4-oxadiazole has a molecular weight of 387.20 g/mol, XLogP of 2.33, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(bromomethyl)-5-[2-(5-pyridin-2-yl-1,2,4-oxadiazol-3-yl)-1H-pyridin-2-yl]-1,2,4-oxadiazole is sourced from PubChem (CID 174583294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).