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

C11H9ClN4O — CID 81178423

IUPAC3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
SMILESClCc1nc2cccnc2n1Cc1ccon1
InChIInChI=1S/C11H9ClN4O/c12-6-10-14-9-2-1-4-13-11(9)16(10)7-8-3-5-17-15-8/h1-5H,6-7H2
InChIKeyXTULYWXUNYVLNL-UHFFFAOYSA-N
MW248.67 g/mol
LogP2.21
Rot. Bonds3

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

3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole (PubChem CID 81178423) has the molecular formula C11H9ClN4O and a molecular weight of 248.67 g/mol. Its IUPAC name is 3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
PubChem CID81178423
Molecular FormulaC11H9ClN4O
Molecular Weight248.67 g/mol
Exact Mass248.05
IUPAC Name3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
SMILESClCc1nc2cccnc2n1Cc1ccon1
InChIInChI=1S/C11H9ClN4O/c12-6-10-14-9-2-1-4-13-11(9)16(10)7-8-3-5-17-15-8/h1-5H,6-7H2
InChIKeyXTULYWXUNYVLNL-UHFFFAOYSA-N
XLogP2.21
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.67
LogP ≤ 52.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(1,2-oxazol-3-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 81177285
3-[[2-(chloromethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
CID 81177532
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71646538
2-(chloromethyl)-3-(cyclopropylmethyl)imidazo[4,5-b]pyridine
CID 69065688
3-[[5,6-dichloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole
CID 81176745
2-(chloromethyl)-3-[(3-ethyl-2-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 82741938
2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79289197
3-[[2-(chloromethyl)-5-iodobenzimidazol-1-yl]methyl]-1,2-oxazole
CID 81177416
2-(chloromethyl)-3-[(3-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71648916
3-[[5-chloro-2-(chloromethyl)-6-fluorobenzimidazol-1-yl]methyl]-1,2-oxazole
CID 81176870
3-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 114186561
4-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3H-1,3-thiazol-2-one
CID 106382615

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole?
The IUPAC name of 3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole (CID 81178423) is 3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole?
The canonical SMILES for 3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole is ClCc1nc2cccnc2n1Cc1ccon1.
What is the InChIKey of 3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole?
The InChIKey is XTULYWXUNYVLNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9ClN4O/c12-6-10-14-9-2-1-4-13-11(9)16(10)7-8-3-5-17-15-8/h1-5H,6-7H2.
What are the key properties of 3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole?
3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole has a molecular weight of 248.67 g/mol, XLogP of 2.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 81178423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).