5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole

C11H8Cl2N4O — CID 106420533

IUPAC5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
SMILESClCc1nc2cc(Cl)cnc2n1Cc1ccno1
InChIInChI=1S/C11H8Cl2N4O/c12-4-10-16-9-3-7(13)5-14-11(9)17(10)6-8-1-2-15-18-8/h1-3,5H,4,6H2
InChIKeyIECMKPGLXPFUCX-UHFFFAOYSA-N
MW283.12 g/mol
LogP2.86
Rot. Bonds3

About 5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole

5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole (PubChem CID 106420533) has the molecular formula C11H8Cl2N4O and a molecular weight of 283.12 g/mol. Its IUPAC name is 5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole.

Molecular Properties

Compound Name5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
PubChem CID106420533
Molecular FormulaC11H8Cl2N4O
Molecular Weight283.12 g/mol
Exact Mass282.01
IUPAC Name5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole
SMILESClCc1nc2cc(Cl)cnc2n1Cc1ccno1
InChIInChI=1S/C11H8Cl2N4O/c12-4-10-16-9-3-7(13)5-14-11(9)17(10)6-8-1-2-15-18-8/h1-3,5H,4,6H2
InChIKeyIECMKPGLXPFUCX-UHFFFAOYSA-N
XLogP2.86
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.12
LogP ≤ 52.86
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

5-[[2-(chloromethyl)benzimidazol-1-yl]methyl]-1,2-oxazole
CID 106420447
6-bromo-3-(1,2-oxazol-5-ylmethyl)imidazo[4,5-b]pyridin-2-amine
CID 106419846
6-bromo-2-(chloromethyl)-3-[(4-chlorophenyl)methyl]imidazo[4,5-b]pyridine
CID 79302090
6-chloro-2-(chloromethyl)-3-[2-(triazol-1-yl)ethyl]imidazo[4,5-b]pyridine
CID 113413048
6-chloro-2-(chloromethyl)-3-[1-(trifluoromethyl)cyclopropyl]imidazo[4,5-b]pyridine
CID 114159541
2-(chloromethyl)-6-methyl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79301361
6-chloro-2-(chloromethyl)-N,N-dimethylimidazo[4,5-b]pyridin-3-amine
CID 83018919
3-[[6-chloro-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole
CID 106407016
5-[[5-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-1,2-oxazole
CID 106420492
5-[[2-(2-chloroethyl)-6,7-difluorobenzimidazol-1-yl]methyl]-1,2-oxazole
CID 106420558
6-chloro-3-(2-chloro-5-fluorophenyl)-2-(chloromethyl)imidazo[4,5-b]pyridine
CID 107529612
3-[2-[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-1,1-dimethylurea
CID 83115515

Frequently Asked Questions

What is the IUPAC name of 5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole?
The IUPAC name of 5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole (CID 106420533) is 5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole.
What is the SMILES notation for 5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole?
The canonical SMILES for 5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole is ClCc1nc2cc(Cl)cnc2n1Cc1ccno1.
What is the InChIKey of 5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole?
The InChIKey is IECMKPGLXPFUCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8Cl2N4O/c12-4-10-16-9-3-7(13)5-14-11(9)17(10)6-8-1-2-15-18-8/h1-3,5H,4,6H2.
What are the key properties of 5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole?
5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole has a molecular weight of 283.12 g/mol, XLogP of 2.86, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[6-chloro-2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-1,2-oxazole is sourced from PubChem (CID 106420533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).