2-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-imidazo[1,2-a]pyridin-3-ylethanone

C19H15ClN4O2 — CID 89425336

IUPAC2-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-imidazo[1,2-a]pyridin-3-ylethanone
SMILESCc1ccc(-c2noc(CCl)n2)cc1CC(=O)c1cnc2ccccn12
InChIInChI=1S/C19H15ClN4O2/c1-12-5-6-13(19-22-18(10-20)26-23-19)8-14(12)9-16(25)15-11-21-17-4-2-3-7-24(15)17/h2-8,11H,9-10H2,1H3
InChIKeyJBUVGTYWQYXJST-UHFFFAOYSA-N
MW366.81 g/mol
LogP3.86
Rot. Bonds5

About 2-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-imidazo[1,2-a]pyridin-3-ylethanone

2-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-imidazo[1,2-a]pyridin-3-ylethanone (PubChem CID 89425336) has the molecular formula C19H15ClN4O2 and a molecular weight of 366.81 g/mol. Its IUPAC name is 2-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-imidazo[1,2-a]pyridin-3-ylethanone.

Molecular Properties

Compound Name2-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-imidazo[1,2-a]pyridin-3-ylethanone
PubChem CID89425336
Molecular FormulaC19H15ClN4O2
Molecular Weight366.81 g/mol
Exact Mass366.09
IUPAC Name2-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-imidazo[1,2-a]pyridin-3-ylethanone
SMILESCc1ccc(-c2noc(CCl)n2)cc1CC(=O)c1cnc2ccccn12
InChIInChI=1S/C19H15ClN4O2/c1-12-5-6-13(19-22-18(10-20)26-23-19)8-14(12)9-16(25)15-11-21-17-4-2-3-7-24(15)17/h2-8,11H,9-10H2,1H3
InChIKeyJBUVGTYWQYXJST-UHFFFAOYSA-N
XLogP3.86
TPSA73.29 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.81
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-imidazo[1,2-a]pyridin-3-ylethanone?
The IUPAC name of 2-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-imidazo[1,2-a]pyridin-3-ylethanone (CID 89425336) is 2-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-imidazo[1,2-a]pyridin-3-ylethanone.
What is the SMILES notation for 2-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-imidazo[1,2-a]pyridin-3-ylethanone?
The canonical SMILES for 2-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-imidazo[1,2-a]pyridin-3-ylethanone is Cc1ccc(-c2noc(CCl)n2)cc1CC(=O)c1cnc2ccccn12.
What is the InChIKey of 2-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-imidazo[1,2-a]pyridin-3-ylethanone?
The InChIKey is JBUVGTYWQYXJST-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15ClN4O2/c1-12-5-6-13(19-22-18(10-20)26-23-19)8-14(12)9-16(25)15-11-21-17-4-2-3-7-24(15)17/h2-8,11H,9-10H2,1H3.
What are the key properties of 2-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-imidazo[1,2-a]pyridin-3-ylethanone?
2-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-imidazo[1,2-a]pyridin-3-ylethanone has a molecular weight of 366.81 g/mol, XLogP of 3.86, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[5-(chloromethyl)-1,2,4-oxadiazol-3-yl]-2-methylphenyl]-1-imidazo[1,2-a]pyridin-3-ylethanone is sourced from PubChem (CID 89425336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).