5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole

C10H7BrN6O — CID 167843401

IUPAC5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESBrc1cn(Cc2nc(-c3cnccn3)no2)cn1
InChIInChI=1S/C10H7BrN6O/c11-8-4-17(6-14-8)5-9-15-10(16-18-9)7-3-12-1-2-13-7/h1-4,6H,5H2
InChIKeyCJUGRXKNPVJECZ-UHFFFAOYSA-N
MW307.11 g/mol
LogP1.53
Rot. Bonds3

About 5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole

5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole (PubChem CID 167843401) has the molecular formula C10H7BrN6O and a molecular weight of 307.11 g/mol. Its IUPAC name is 5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
PubChem CID167843401
Molecular FormulaC10H7BrN6O
Molecular Weight307.11 g/mol
Exact Mass305.99
IUPAC Name5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole
SMILESBrc1cn(Cc2nc(-c3cnccn3)no2)cn1
InChIInChI=1S/C10H7BrN6O/c11-8-4-17(6-14-8)5-9-15-10(16-18-9)7-3-12-1-2-13-7/h1-4,6H,5H2
InChIKeyCJUGRXKNPVJECZ-UHFFFAOYSA-N
XLogP1.53
TPSA82.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.11
LogP ≤ 51.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methanol
CID 63758301
1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]pyrrolidin-3-amine
CID 110277887
3-pyrazin-2-yl-5-[(4-pyridin-4-ylpiperidin-1-yl)methyl]-1,2,4-oxadiazole
CID 42521587
3-pyrazin-2-yl-5-[(4-pyridin-2-ylpiperazin-1-yl)methyl]-1,2,4-oxadiazole
CID 86805292
[1-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]-3-thiophen-2-ylpyrazol-4-yl]methanol
CID 56898289
3-pyrazin-2-yl-5-[2-(1,3,5-trimethylpyrazol-4-yl)ethyl]-1,2,4-oxadiazole
CID 71974128
1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345918
5-(2-indol-1-ylethyl)-3-pyrazin-2-yl-1,2,4-oxadiazole
CID 71859081
3-[(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)methyl]phenol
CID 63845058
N-[2-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)ethyl]propan-2-amine
CID 54924068
3,3-dimethyl-1-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)butan-2-ol
CID 63345917
1,1,1-trifluoro-3-(3-pyrazin-2-yl-1,2,4-oxadiazol-5-yl)propan-2-ol
CID 63345875

Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The IUPAC name of 5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole (CID 167843401) is 5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The canonical SMILES for 5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole is Brc1cn(Cc2nc(-c3cnccn3)no2)cn1.
What is the InChIKey of 5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
The InChIKey is CJUGRXKNPVJECZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN6O/c11-8-4-17(6-14-8)5-9-15-10(16-18-9)7-3-12-1-2-13-7/h1-4,6H,5H2.
What are the key properties of 5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole?
5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole has a molecular weight of 307.11 g/mol, XLogP of 1.53, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromoimidazol-1-yl)methyl]-3-pyrazin-2-yl-1,2,4-oxadiazole is sourced from PubChem (CID 167843401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).