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

C14H15ClN4O — CID 79294186

IUPAC4-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cn1c(CCCl)nc2cccnc21
InChIInChI=1S/C14H15ClN4O/c1-9-11(10(2)20-18-9)8-19-13(5-6-15)17-12-4-3-7-16-14(12)19/h3-4,7H,5-6,8H2,1-2H3
InChIKeyTYEWAPWBXLXIGK-UHFFFAOYSA-N
MW290.75 g/mol
LogP2.87
Rot. Bonds4

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

4-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole (PubChem CID 79294186) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 4-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole.

Molecular Properties

Compound Name4-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole
PubChem CID79294186
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name4-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole
SMILESCc1noc(C)c1Cn1c(CCCl)nc2cccnc21
InChIInChI=1S/C14H15ClN4O/c1-9-11(10(2)20-18-9)8-19-13(5-6-15)17-12-4-3-7-16-14(12)19/h3-4,7H,5-6,8H2,1-2H3
InChIKeyTYEWAPWBXLXIGK-UHFFFAOYSA-N
XLogP2.87
TPSA56.74 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 52.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 4-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole with MolForge

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Related Compounds

5-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-4-methyl-1,3-thiazole
CID 79294247
2-(2-chloroethyl)-3-[(3-methyl-4-pyridinyl)methyl]imidazo[4,5-b]pyridine
CID 114701242
2-(2-chloroethyl)-3-(pyridin-2-ylmethyl)imidazo[4,5-b]pyridine
CID 79289197
4-[[7-chloro-2-(chloromethyl)benzimidazol-1-yl]methyl]-3,5-dimethyl-1,2-oxazole
CID 79238246
2-(2-chloroethyl)-3-(3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79294900
2-(2-chloroethyl)-3-(2-methyl-3-methylsulfanylpropyl)imidazo[4,5-b]pyridine
CID 79295045
2-(chloromethyl)-3-[(2,6-dichlorophenyl)methyl]imidazo[4,5-b]pyridine
CID 71646538
2-(2-chloroethyl)-3-(2-pyrrolidin-1-ylethyl)imidazo[4,5-b]pyridine
CID 79294892
3-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 114186561
2-(2-chloroethyl)-3-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-b]pyridine
CID 106431903
2-(2-chloroethyl)-3-(cyclohexylmethyl)imidazo[4,5-b]pyridine
CID 79294577
2-(2-chloroethyl)-7-methyl-1-[(3-methyl-2-pyridinyl)methyl]benzimidazole
CID 115553484

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The IUPAC name of 4-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole (CID 79294186) is 4-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole.
What is the SMILES notation for 4-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The canonical SMILES for 4-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole is Cc1noc(C)c1Cn1c(CCCl)nc2cccnc21.
What is the InChIKey of 4-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole?
The InChIKey is TYEWAPWBXLXIGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-9-11(10(2)20-18-9)8-19-13(5-6-15)17-12-4-3-7-16-14(12)19/h3-4,7H,5-6,8H2,1-2H3.
What are the key properties of 4-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole?
4-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole has a molecular weight of 290.75 g/mol, XLogP of 2.87, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(2-chloroethyl)imidazo[4,5-b]pyridin-3-yl]methyl]-3,5-dimethyl-1,2-oxazole is sourced from PubChem (CID 79294186), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).