3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole

C14H16ClN5O — CID 106420277

IUPAC3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CCn2c(CCCl)nc3c(C)ccnc32)no1
InChIInChI=1S/C14H16ClN5O/c1-9-4-7-16-14-13(9)18-12(3-6-15)20(14)8-5-11-17-10(2)21-19-11/h4,7H,3,5-6,8H2,1-2H3
InChIKeyBNJHWNAVIQBWRO-UHFFFAOYSA-N
MW305.77 g/mol
LogP2.46
Rot. Bonds5

About 3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole

3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole (PubChem CID 106420277) has the molecular formula C14H16ClN5O and a molecular weight of 305.77 g/mol. Its IUPAC name is 3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole
PubChem CID106420277
Molecular FormulaC14H16ClN5O
Molecular Weight305.77 g/mol
Exact Mass305.10
IUPAC Name3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole
SMILESCc1nc(CCn2c(CCCl)nc3c(C)ccnc32)no1
InChIInChI=1S/C14H16ClN5O/c1-9-4-7-16-14-13(9)18-12(3-6-15)20(14)8-5-11-17-10(2)21-19-11/h4,7H,3,5-6,8H2,1-2H3
InChIKeyBNJHWNAVIQBWRO-UHFFFAOYSA-N
XLogP2.46
TPSA69.63 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.77
LogP ≤ 52.46
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-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]-N-ethyl-N-methylethanamine
CID 79294107
N-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylpropan-2-amine
CID 79293158
2-(2-chloroethyl)-3,7-dimethylimidazo[4,5-b]pyridine
CID 79293422
N-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylbutan-2-amine
CID 106004808
2-(2-chloroethyl)-7-methyl-3-(5,5,5-trifluoropentyl)imidazo[4,5-b]pyridine
CID 115521123
2-(2-chloroethyl)-7-methyl-3-[(2-methylpyrimidin-4-yl)methyl]imidazo[4,5-b]pyridine
CID 79277501
2-(2-chloroethyl)-7-methyl-3-[(4-methylphenyl)methyl]imidazo[4,5-b]pyridine
CID 79276456
3-[2-[2-(chloromethyl)imidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole
CID 114186561
3-[(4-bromophenyl)methyl]-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 79276187
2-(2-chloroethyl)-7-methyl-3-(2-methylbutyl)imidazo[4,5-b]pyridine
CID 79293597
2-(2-chloroethyl)-3-[(1,3-dimethylpyrazol-4-yl)methyl]-7-methylimidazo[4,5-b]pyridine
CID 115991019
2-[[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]methyl]-4,5-dimethyl-1,3-oxazole
CID 106375958

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole?
The IUPAC name of 3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole (CID 106420277) is 3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole?
The canonical SMILES for 3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole is Cc1nc(CCn2c(CCCl)nc3c(C)ccnc32)no1.
What is the InChIKey of 3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole?
The InChIKey is BNJHWNAVIQBWRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClN5O/c1-9-4-7-16-14-13(9)18-12(3-6-15)20(14)8-5-11-17-10(2)21-19-11/h4,7H,3,5-6,8H2,1-2H3.
What are the key properties of 3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole?
3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole has a molecular weight of 305.77 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-5-methyl-1,2,4-oxadiazole is sourced from PubChem (CID 106420277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).