5-(3-bromoimidazo[1,2-a]pyridin-8-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole

C12H8BrN7O — CID 167794524

IUPAC5-(3-bromoimidazo[1,2-a]pyridin-8-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESBrc1cnc2c(-c3nc(Cn4ccnn4)no3)cccn12
InChIInChI=1S/C12H8BrN7O/c13-9-6-14-11-8(2-1-4-20(9)11)12-16-10(17-21-12)7-19-5-3-15-18-19/h1-6H,7H2
InChIKeyCYNYAIDCSMRGFK-UHFFFAOYSA-N
MW346.15 g/mol
LogP1.79
Rot. Bonds3

About 5-(3-bromoimidazo[1,2-a]pyridin-8-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole

5-(3-bromoimidazo[1,2-a]pyridin-8-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole (PubChem CID 167794524) has the molecular formula C12H8BrN7O and a molecular weight of 346.15 g/mol. Its IUPAC name is 5-(3-bromoimidazo[1,2-a]pyridin-8-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-(3-bromoimidazo[1,2-a]pyridin-8-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
PubChem CID167794524
Molecular FormulaC12H8BrN7O
Molecular Weight346.15 g/mol
Exact Mass345.00
IUPAC Name5-(3-bromoimidazo[1,2-a]pyridin-8-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
SMILESBrc1cnc2c(-c3nc(Cn4ccnn4)no3)cccn12
InChIInChI=1S/C12H8BrN7O/c13-9-6-14-11-8(2-1-4-20(9)11)12-16-10(17-21-12)7-19-5-3-15-18-19/h1-6H,7H2
InChIKeyCYNYAIDCSMRGFK-UHFFFAOYSA-N
XLogP1.79
TPSA86.93 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.15
LogP ≤ 51.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

5-(furan-3-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
CID 91661141
3-(triazol-1-ylmethyl)-5-[3-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 167810623
5-[(1R,2R)-2-(4-bromophenyl)cyclopropyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
CID 166252699
5-[1-(4-ethylphenyl)ethyl]-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole
CID 167812481
3-[1-[3-(triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethyl]benzonitrile
CID 167910668
3-(triazol-1-ylmethyl)-5-[1-[3-(trifluoromethyl)phenyl]ethyl]-1,2,4-oxadiazole
CID 167851628
3-[[4-(1-bromoethyl)triazol-1-yl]methyl]-5-phenyl-1,2,4-oxadiazole
CID 81449374
4-[1-[3-(triazol-1-ylmethyl)-1,2,4-oxadiazol-5-yl]ethoxy]benzonitrile
CID 167817118
9-methyl-3-[3-(2-phenylethyl)-1,2,4-oxadiazol-5-yl]pyrido[1,2-a]pyrimidin-4-one
CID 75471492
5-(2-fluorophenyl)-3-[(2-methylimidazol-1-yl)methyl]-1,2,4-oxadiazole
CID 53015258
3-[[4-(2-bromoethyl)triazol-1-yl]methyl]-5-(2-chlorophenyl)-1,2,4-oxadiazole
CID 62394421
3-[[4-(1-bromoethyl)triazol-1-yl]methyl]-5-(4-chlorophenyl)-1,2,4-oxadiazole
CID 81449143

Frequently Asked Questions

What is the IUPAC name of 5-(3-bromoimidazo[1,2-a]pyridin-8-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole?
The IUPAC name of 5-(3-bromoimidazo[1,2-a]pyridin-8-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole (CID 167794524) is 5-(3-bromoimidazo[1,2-a]pyridin-8-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-(3-bromoimidazo[1,2-a]pyridin-8-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-(3-bromoimidazo[1,2-a]pyridin-8-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole is Brc1cnc2c(-c3nc(Cn4ccnn4)no3)cccn12.
What is the InChIKey of 5-(3-bromoimidazo[1,2-a]pyridin-8-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole?
The InChIKey is CYNYAIDCSMRGFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8BrN7O/c13-9-6-14-11-8(2-1-4-20(9)11)12-16-10(17-21-12)7-19-5-3-15-18-19/h1-6H,7H2.
What are the key properties of 5-(3-bromoimidazo[1,2-a]pyridin-8-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole?
5-(3-bromoimidazo[1,2-a]pyridin-8-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole has a molecular weight of 346.15 g/mol, XLogP of 1.79, 3 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3-bromoimidazo[1,2-a]pyridin-8-yl)-3-(triazol-1-ylmethyl)-1,2,4-oxadiazole is sourced from PubChem (CID 167794524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).