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

C14H15ClN4O2 — CID 115322902

IUPAC3-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,2-oxazole
SMILESCOc1ccc2nc(CCCl)n(Cc3cc(C)on3)c2n1
InChIInChI=1S/C14H15ClN4O2/c1-9-7-10(18-21-9)8-19-12(5-6-15)16-11-3-4-13(20-2)17-14(11)19/h3-4,7H,5-6,8H2,1-2H3
InChIKeyAFJKGPYNIWNPKA-UHFFFAOYSA-N
MW306.75 g/mol
LogP2.57
Rot. Bonds5

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

3-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,2-oxazole (PubChem CID 115322902) has the molecular formula C14H15ClN4O2 and a molecular weight of 306.75 g/mol. Its IUPAC name is 3-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,2-oxazole.

Molecular Properties

Compound Name3-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,2-oxazole
PubChem CID115322902
Molecular FormulaC14H15ClN4O2
Molecular Weight306.75 g/mol
Exact Mass306.09
IUPAC Name3-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,2-oxazole
SMILESCOc1ccc2nc(CCCl)n(Cc3cc(C)on3)c2n1
InChIInChI=1S/C14H15ClN4O2/c1-9-7-10(18-21-9)8-19-12(5-6-15)16-11-3-4-13(20-2)17-14(11)19/h3-4,7H,5-6,8H2,1-2H3
InChIKeyAFJKGPYNIWNPKA-UHFFFAOYSA-N
XLogP2.57
TPSA65.97 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.75
LogP ≤ 52.57
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

2-(2-chloroethyl)-5-methoxy-3-[(1-methylpyrazol-3-yl)methyl]imidazo[4,5-b]pyridine
CID 82874251
2-(2-chloroethyl)-5-methoxy-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 115322705
2-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole
CID 115322869
2-(chloromethyl)-5-methoxy-3-[(5-methylpyrazin-2-yl)methyl]imidazo[4,5-b]pyridine
CID 115322993
2-(2-chloroethyl)-3-(1,4-dioxan-2-ylmethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 115322790
2-(2-chloroethyl)-3-(2-cyclopropylethyl)-5-methoxyimidazo[4,5-b]pyridine
CID 113286951
5-[[2-(chloromethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-2-methyl-1,3-thiazole
CID 115322862
2-(2-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
CID 115322893
2-(2-chloroethyl)-5-methoxy-3-(thiolan-2-ylmethyl)imidazo[4,5-b]pyridine
CID 115323175
2-(2-chloroethyl)-5-methoxy-3-(2,2,3,3-tetrafluoropropyl)imidazo[4,5-b]pyridine
CID 106295014
2-(2-chloroethyl)-3-(3-ethylpentan-3-yl)-5-methoxyimidazo[4,5-b]pyridine
CID 115323122
2-(chloromethyl)-3-[(2-chlorophenyl)methyl]-5-methoxyimidazo[4,5-b]pyridine
CID 115322536

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,2-oxazole?
The IUPAC name of 3-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,2-oxazole (CID 115322902) is 3-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,2-oxazole.
What is the SMILES notation for 3-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,2-oxazole?
The canonical SMILES for 3-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,2-oxazole is COc1ccc2nc(CCCl)n(Cc3cc(C)on3)c2n1.
What is the InChIKey of 3-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,2-oxazole?
The InChIKey is AFJKGPYNIWNPKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O2/c1-9-7-10(18-21-9)8-19-12(5-6-15)16-11-3-4-13(20-2)17-14(11)19/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 3-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,2-oxazole?
3-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,2-oxazole has a molecular weight of 306.75 g/mol, XLogP of 2.57, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(2-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]methyl]-5-methyl-1,2-oxazole is sourced from PubChem (CID 115322902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).