3-(4,5-dibromo-1H-imidazol-2-yl)-5-phenyl-1,2,4-oxadiazole

C11H6Br2N4O — CID 135592966

IUPAC3-(4,5-dibromo-1H-imidazol-2-yl)-5-phenyl-1,2,4-oxadiazole
SMILESBrc1nc(-c2noc(-c3ccccc3)n2)[nH]c1Br
InChIInChI=1S/C11H6Br2N4O/c12-7-8(13)15-9(14-7)10-16-11(18-17-10)6-4-2-1-3-5-6/h1-5H,(H,14,15)
InChIKeyGKKRAUZALSKCHC-UHFFFAOYSA-N
MW370.00 g/mol
LogP3.65
Rot. Bonds2

About 3-(4,5-dibromo-1H-imidazol-2-yl)-5-phenyl-1,2,4-oxadiazole

3-(4,5-dibromo-1H-imidazol-2-yl)-5-phenyl-1,2,4-oxadiazole (PubChem CID 135592966) has the molecular formula C11H6Br2N4O and a molecular weight of 370.00 g/mol. Its IUPAC name is 3-(4,5-dibromo-1H-imidazol-2-yl)-5-phenyl-1,2,4-oxadiazole.

Molecular Properties

Compound Name3-(4,5-dibromo-1H-imidazol-2-yl)-5-phenyl-1,2,4-oxadiazole
PubChem CID135592966
Molecular FormulaC11H6Br2N4O
Molecular Weight370.00 g/mol
Exact Mass367.89
IUPAC Name3-(4,5-dibromo-1H-imidazol-2-yl)-5-phenyl-1,2,4-oxadiazole
SMILESBrc1nc(-c2noc(-c3ccccc3)n2)[nH]c1Br
InChIInChI=1S/C11H6Br2N4O/c12-7-8(13)15-9(14-7)10-16-11(18-17-10)6-4-2-1-3-5-6/h1-5H,(H,14,15)
InChIKeyGKKRAUZALSKCHC-UHFFFAOYSA-N
XLogP3.65
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.00
LogP ≤ 53.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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5-phenyl-3-(5-phenyl-1,2,4-oxadiazol-3-yl)pyrazin-2-amine
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5-(4-phenylphenyl)-3-pyridin-2-yl-1,2,4-oxadiazole
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[4-(3-phenyl-1,2,4-oxadiazol-5-yl)phenyl]methanamine
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5-(4-tert-butylphenyl)-3-(4-phenylphenyl)-1,2,4-oxadiazole
CID 22134303
3-tert-butyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 23379881
3-methyl-5-(4-phenylphenyl)-1,2,4-oxadiazole
CID 91136063
5-(1-ethylpyrazol-4-yl)-3-phenyl-1,2,4-oxadiazole
CID 19324429
N-(5-phenyl-1,2,4-oxadiazol-3-yl)benzamide
CID 15643333
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CID 704271
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CID 20678688

Frequently Asked Questions

What is the IUPAC name of 3-(4,5-dibromo-1H-imidazol-2-yl)-5-phenyl-1,2,4-oxadiazole?
The IUPAC name of 3-(4,5-dibromo-1H-imidazol-2-yl)-5-phenyl-1,2,4-oxadiazole (CID 135592966) is 3-(4,5-dibromo-1H-imidazol-2-yl)-5-phenyl-1,2,4-oxadiazole.
What is the SMILES notation for 3-(4,5-dibromo-1H-imidazol-2-yl)-5-phenyl-1,2,4-oxadiazole?
The canonical SMILES for 3-(4,5-dibromo-1H-imidazol-2-yl)-5-phenyl-1,2,4-oxadiazole is Brc1nc(-c2noc(-c3ccccc3)n2)[nH]c1Br.
What is the InChIKey of 3-(4,5-dibromo-1H-imidazol-2-yl)-5-phenyl-1,2,4-oxadiazole?
The InChIKey is GKKRAUZALSKCHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6Br2N4O/c12-7-8(13)15-9(14-7)10-16-11(18-17-10)6-4-2-1-3-5-6/h1-5H,(H,14,15).
What are the key properties of 3-(4,5-dibromo-1H-imidazol-2-yl)-5-phenyl-1,2,4-oxadiazole?
3-(4,5-dibromo-1H-imidazol-2-yl)-5-phenyl-1,2,4-oxadiazole has a molecular weight of 370.00 g/mol, XLogP of 3.65, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,5-dibromo-1H-imidazol-2-yl)-5-phenyl-1,2,4-oxadiazole is sourced from PubChem (CID 135592966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).