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

C13H13ClN4O — CID 81135755

IUPAC5-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(Cn2c(CCl)nc3ccc(C)nc32)on1
InChIInChI=1S/C13H13ClN4O/c1-8-3-4-11-13(15-8)18(12(6-14)16-11)7-10-5-9(2)17-19-10/h3-5H,6-7H2,1-2H3
InChIKeyNEAIGEFVUVROHN-UHFFFAOYSA-N
MW276.73 g/mol
LogP2.82
Rot. Bonds3

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

5-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole (PubChem CID 81135755) has the molecular formula C13H13ClN4O and a molecular weight of 276.73 g/mol. Its IUPAC name is 5-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole.

Molecular Properties

Compound Name5-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole
PubChem CID81135755
Molecular FormulaC13H13ClN4O
Molecular Weight276.73 g/mol
Exact Mass276.08
IUPAC Name5-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole
SMILESCc1cc(Cn2c(CCl)nc3ccc(C)nc32)on1
InChIInChI=1S/C13H13ClN4O/c1-8-3-4-11-13(15-8)18(12(6-14)16-11)7-10-5-9(2)17-19-10/h3-5H,6-7H2,1-2H3
InChIKeyNEAIGEFVUVROHN-UHFFFAOYSA-N
XLogP2.82
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.73
LogP ≤ 52.82
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-methyl-3-[(3-methyl-1,2-oxazol-5-yl)methyl]imidazo[4,5-b]pyridin-2-amine
CID 81135716
3-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-1,2,4-oxadiazole
CID 106406965
5-[[6-bromo-2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole
CID 79302970
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
5-[[2-(1-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole
CID 79294739
2-(chloromethyl)-5-methyl-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
CID 81136392
5-[[6-chloro-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-3-methyl-1,2-oxazole
CID 115471371
1-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N,2-trimethylpropan-2-amine
CID 81135613
2-(chloromethyl)-5-methyl-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 81135418
5-[[6-bromo-2-(1-chloroethyl)benzimidazol-1-yl]methyl]-3-methyl-1,2-oxazole
CID 65346238
3-[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]-N,N-diethylpropan-1-amine
CID 81136219

Frequently Asked Questions

What is the IUPAC name of 5-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole?
The IUPAC name of 5-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole (CID 81135755) is 5-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole.
What is the SMILES notation for 5-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole?
The canonical SMILES for 5-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole is Cc1cc(Cn2c(CCl)nc3ccc(C)nc32)on1.
What is the InChIKey of 5-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole?
The InChIKey is NEAIGEFVUVROHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13ClN4O/c1-8-3-4-11-13(15-8)18(12(6-14)16-11)7-10-5-9(2)17-19-10/h3-5H,6-7H2,1-2H3.
What are the key properties of 5-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole?
5-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole has a molecular weight of 276.73 g/mol, XLogP of 2.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-(chloromethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]methyl]-3-methyl-1,2-oxazole is sourced from PubChem (CID 81135755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).