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

C10H8ClN5O — CID 106407046

IUPAC3-[[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-1,2,4-oxadiazole
SMILESClCc1nc2cnccc2n1Cc1ncon1
InChIInChI=1S/C10H8ClN5O/c11-3-10-14-7-4-12-2-1-8(7)16(10)5-9-13-6-17-15-9/h1-2,4,6H,3,5H2
InChIKeyBTGDKYVEKRNNRZ-UHFFFAOYSA-N
MW249.66 g/mol
LogP1.60
Rot. Bonds3

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

3-[[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-1,2,4-oxadiazole (PubChem CID 106407046) has the molecular formula C10H8ClN5O and a molecular weight of 249.66 g/mol. Its IUPAC name is 3-[[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-1,2,4-oxadiazole
PubChem CID106407046
Molecular FormulaC10H8ClN5O
Molecular Weight249.66 g/mol
Exact Mass249.04
IUPAC Name3-[[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-1,2,4-oxadiazole
SMILESClCc1nc2cnccc2n1Cc1ncon1
InChIInChI=1S/C10H8ClN5O/c11-3-10-14-7-4-12-2-1-8(7)16(10)5-9-13-6-17-15-9/h1-2,4,6H,3,5H2
InChIKeyBTGDKYVEKRNNRZ-UHFFFAOYSA-N
XLogP1.60
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.66
LogP ≤ 51.60
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
3-[[2-(chloromethyl)-5-(trifluoromethyl)benzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106406980
3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole
CID 106406965
2-(chloromethyl)-1-[(5-methylfuran-2-yl)methyl]imidazo[4,5-c]pyridine
CID 79292889
2-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]-N,N-dimethylethanamine
CID 79292139
3-[[2-(2-chloroethyl)-6-methoxybenzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106407036
2-(chloromethyl)-1-[2-(4-methoxyphenyl)ethyl]imidazo[4,5-c]pyridine
CID 79273930
2-(2-chloroethyl)-1-(thiophen-2-ylmethyl)imidazo[4,5-c]pyridine
CID 79292646
2-(2-chloroethyl)-1-[(2-methylpyrazol-3-yl)methyl]imidazo[4,5-c]pyridine
CID 79292679
methyl 3-[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]propanoate
CID 79292098
3-[[2-(2-chloroethyl)-5-fluoro-6-methylbenzimidazol-1-yl]methyl]-1,2,4-oxadiazole
CID 106407005
3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole
CID 106407016

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-1,2,4-oxadiazole (CID 106407046) is 3-[[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-1,2,4-oxadiazole is ClCc1nc2cnccc2n1Cc1ncon1.
What is the InChIKey of 3-[[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-1,2,4-oxadiazole?
The InChIKey is BTGDKYVEKRNNRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8ClN5O/c11-3-10-14-7-4-12-2-1-8(7)16(10)5-9-13-6-17-15-9/h1-2,4,6H,3,5H2.
What are the key properties of 3-[[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-1,2,4-oxadiazole?
3-[[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-1,2,4-oxadiazole has a molecular weight of 249.66 g/mol, XLogP of 1.60, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(chloromethyl)imidazo[4,5-c]pyridin-1-yl]methyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106407046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).