3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole

C11H10ClN5O — CID 106406965

IUPAC3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole
SMILESCc1ccc2nc(CCl)n(Cc3ncon3)c2n1
InChIInChI=1S/C11H10ClN5O/c1-7-2-3-8-11(14-7)17(10(4-12)15-8)5-9-13-6-18-16-9/h2-3,6H,4-5H2,1H3
InChIKeyCLVXABXNXVNEDF-UHFFFAOYSA-N
MW263.69 g/mol
LogP1.91
Rot. Bonds3

About 3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole

3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole (PubChem CID 106406965) has the molecular formula C11H10ClN5O and a molecular weight of 263.69 g/mol. Its IUPAC name is 3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole
PubChem CID106406965
Molecular FormulaC11H10ClN5O
Molecular Weight263.69 g/mol
Exact Mass263.06
IUPAC Name3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole
SMILESCc1ccc2nc(CCl)n(Cc3ncon3)c2n1
InChIInChI=1S/C11H10ClN5O/c1-7-2-3-8-11(14-7)17(10(4-12)15-8)5-9-13-6-18-16-9/h2-3,6H,4-5H2,1H3
InChIKeyCLVXABXNXVNEDF-UHFFFAOYSA-N
XLogP1.91
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.69
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[[2-(chloromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106406922
5-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole
CID 81135755
3-[[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-1,2,4-oxadiazole
CID 106407046
3-[[2-(chloromethyl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106406980
2-(chloromethyl)-3-[(2-methoxy-4-pyridinyl)methyl]-5-methylimidazo[4,5-b]pyridine
CID 81139479
2-(chloromethyl)-5-methyl-3-pentylimidazo[4,5-b]pyridine
CID 81136215
2-(chloromethyl)-3-hexyl-5-methylimidazo[4,5-b]pyridine
CID 81135625
2-(chloromethyl)-5-methyl-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
CID 81136392
2-(chloromethyl)-5-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 81135418
1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine
CID 81135613
3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole
CID 106407016
3-[[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106407036

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole (CID 106406965) is 3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole is Cc1ccc2nc(CCl)n(Cc3ncon3)c2n1.
What is the InChIKey of 3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is CLVXABXNXVNEDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN5O/c1-7-2-3-8-11(14-7)17(10(4-12)15-8)5-9-13-6-18-16-9/h2-3,6H,4-5H2,1H3.
What are the key properties of 3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole?
3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 263.69 g/mol, XLogP of 1.91, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106406965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).