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

C13H14ClN5O2 — CID 106407211

IUPAC5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
SMILESCOc1ccc2nc(C(C)Cl)n(CCc3ncno3)c2n1
InChIInChI=1S/C13H14ClN5O2/c1-8(14)12-17-9-3-4-11(20-2)18-13(9)19(12)6-5-10-15-7-16-21-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUMEHIYHXQMZZSF-UHFFFAOYSA-N
MW307.74 g/mol
LogP2.37
Rot. Bonds5

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

5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole (PubChem CID 106407211) has the molecular formula C13H14ClN5O2 and a molecular weight of 307.74 g/mol. Its IUPAC name is 5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
PubChem CID106407211
Molecular FormulaC13H14ClN5O2
Molecular Weight307.74 g/mol
Exact Mass307.08
IUPAC Name5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
SMILESCOc1ccc2nc(C(C)Cl)n(CCc3ncno3)c2n1
InChIInChI=1S/C13H14ClN5O2/c1-8(14)12-17-9-3-4-11(20-2)18-13(9)19(12)6-5-10-15-7-16-21-10/h3-4,7-8H,5-6H2,1-2H3
InChIKeyUMEHIYHXQMZZSF-UHFFFAOYSA-N
XLogP2.37
TPSA78.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.74
LogP ≤ 52.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

5-[2-[8-(1-chloroethyl)-6-methoxypurin-9-yl]ethyl]-1,2,4-oxadiazole
CID 106407091
5-[2-[2-(1-chloroethyl)-7-methylimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole
CID 106407149
3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-N,N-dimethylpropan-1-amine
CID 115322579
2-(1-chloroethyl)-5-methoxy-3-(3-methylsulfonylpropyl)imidazo[4,5-b]pyridine
CID 115322892
2-(1-chloroethyl)-5-methoxy-3-[2-(trifluoromethylsulfanyl)ethyl]imidazo[4,5-b]pyridine
CID 106432070
N-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-N-methylcyclopropanamine
CID 115322999
2-(1-chloroethyl)-5-methoxy-3-(3-methoxy-2-methylpropyl)imidazo[4,5-b]pyridine
CID 115322941
3-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]-2,2-dimethylpropanamide
CID 106278723
2-(1-chloroethyl)-5-methoxy-3-propan-2-ylimidazo[4,5-b]pyridine
CID 115322528
2-(1-chloroethyl)-5-methoxy-3-(2-methylpentan-3-yl)imidazo[4,5-b]pyridine
CID 115322826
methyl 3-[2-(1-chloroethyl)-5-methylimidazo[4,5-b]pyridin-3-yl]propanoate
CID 81136308
5-[2-[2-(chloromethyl)-4-methoxybenzimidazol-1-yl]ethyl]-1,2,4-oxadiazole
CID 106407212

Frequently Asked Questions

What is the IUPAC name of 5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole?
The IUPAC name of 5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole (CID 106407211) is 5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole.
What is the SMILES notation for 5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole?
The canonical SMILES for 5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole is COc1ccc2nc(C(C)Cl)n(CCc3ncno3)c2n1.
What is the InChIKey of 5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole?
The InChIKey is UMEHIYHXQMZZSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14ClN5O2/c1-8(14)12-17-9-3-4-11(20-2)18-13(9)19(12)6-5-10-15-7-16-21-10/h3-4,7-8H,5-6H2,1-2H3.
What are the key properties of 5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole?
5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole has a molecular weight of 307.74 g/mol, XLogP of 2.37, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[2-(1-chloroethyl)-5-methoxyimidazo[4,5-b]pyridin-3-yl]ethyl]-1,2,4-oxadiazole is sourced from PubChem (CID 106407211), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).