3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole

C15H9IN4O — CID 16738345

IUPAC3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole
SMILESIc1ccc2nc(-c3ccc(-c4ncon4)cc3)cn2c1
InChIInChI=1S/C15H9IN4O/c16-12-5-6-14-18-13(8-20(14)7-12)10-1-3-11(4-2-10)15-17-9-21-19-15/h1-9H
InChIKeyYBTGUUIOJWNSLA-UHFFFAOYSA-N
MW388.17 g/mol
LogP3.66
Rot. Bonds2

About 3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole

3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole (PubChem CID 16738345) has the molecular formula C15H9IN4O and a molecular weight of 388.17 g/mol. Its IUPAC name is 3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole
PubChem CID16738345
Molecular FormulaC15H9IN4O
Molecular Weight388.17 g/mol
Exact Mass387.98
IUPAC Name3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole
SMILESIc1ccc2nc(-c3ccc(-c4ncon4)cc3)cn2c1
InChIInChI=1S/C15H9IN4O/c16-12-5-6-14-18-13(8-20(14)7-12)10-1-3-11(4-2-10)15-17-9-21-19-15/h1-9H
InChIKeyYBTGUUIOJWNSLA-UHFFFAOYSA-N
XLogP3.66
TPSA56.22 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.17
LogP ≤ 53.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-(4-tert-butylphenyl)-6-iodoimidazo[1,2-a]pyridine
CID 10571546
[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]hydrazine
CID 23106734
6-iodo-2-pyridin-3-ylimidazo[1,2-a]pyridine
CID 169323354
N-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]acetamide
CID 986158
4-(6-iodoimidazo[1,2-a]pyridin-2-yl)-2-methoxyphenol
CID 68719321
5-[3-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]furan-2-carbaldehyde
CID 169335680
4-(1,2,4-oxadiazol-3-yl)phenol
CID 135760588
3-[4-(chloromethyl)phenyl]-1,2,4-oxadiazole
CID 134817589
2-(4-carboxyphenyl)imidazo[1,2-a]pyridine-6-carboxylic acid
CID 117128170
2-ethoxy-N-hydroxy-5-(6-iodoimidazo[1,2-a]pyridin-2-yl)benzeneamine oxide
CID 163135495
2-[4-(4-methylphenyl)phenyl]imidazo[1,2-a]pyridine
CID 58880683
(Z)-3-[4-[6-[(Z)-3-oxoprop-1-enyl]imidazo[1,2-a]pyridin-2-yl]phenyl]prop-2-enal
CID 99726261

Frequently Asked Questions

What is the IUPAC name of 3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole?
The IUPAC name of 3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole (CID 16738345) is 3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole.
What is the SMILES notation for 3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole?
The canonical SMILES for 3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole is Ic1ccc2nc(-c3ccc(-c4ncon4)cc3)cn2c1.
What is the InChIKey of 3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole?
The InChIKey is YBTGUUIOJWNSLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H9IN4O/c16-12-5-6-14-18-13(8-20(14)7-12)10-1-3-11(4-2-10)15-17-9-21-19-15/h1-9H.
What are the key properties of 3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole?
3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole has a molecular weight of 388.17 g/mol, XLogP of 3.66, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(6-iodoimidazo[1,2-a]pyridin-2-yl)phenyl]-1,2,4-oxadiazole is sourced from PubChem (CID 16738345), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).