3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole

C12H11ClN4O — CID 81177532

IUPAC3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
SMILESCc1ccnc2c1nc(CCl)n2Cc1ccon1
InChIInChI=1S/C12H11ClN4O/c1-8-2-4-14-12-11(8)15-10(6-13)17(12)7-9-3-5-18-16-9/h2-5H,6-7H2,1H3
InChIKeyDOIJSFUQBZCXFG-UHFFFAOYSA-N
MW262.70 g/mol
LogP2.51
Rot. Bonds3

About 3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole

3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole (PubChem CID 81177532) has the molecular formula C12H11ClN4O and a molecular weight of 262.70 g/mol. Its IUPAC name is 3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
PubChem CID81177532
Molecular FormulaC12H11ClN4O
Molecular Weight262.70 g/mol
Exact Mass262.06
IUPAC Name3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
SMILESCc1ccnc2c1nc(CCl)n2Cc1ccon1
InChIInChI=1S/C12H11ClN4O/c1-8-2-4-14-12-11(8)15-10(6-13)17(12)7-9-3-5-18-16-9/h2-5H,6-7H2,1H3
InChIKeyDOIJSFUQBZCXFG-UHFFFAOYSA-N
XLogP2.51
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.70
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole (CID 81177532) is 3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole is Cc1ccnc2c1nc(CCl)n2Cc1ccon1.
What is the InChIKey of 3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole?
The InChIKey is DOIJSFUQBZCXFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11ClN4O/c1-8-2-4-14-12-11(8)15-10(6-13)17(12)7-9-3-5-18-16-9/h2-5H,6-7H2,1H3.
What are the key properties of 3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole?
3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole has a molecular weight of 262.70 g/mol, XLogP of 2.51, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 81177532), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).