2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole

C6H4BrN3O2 — CID 114771182

IUPAC2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
SMILESCc1oncc1-c1nnc(Br)o1
InChIInChI=1S/C6H4BrN3O2/c1-3-4(2-8-12-3)5-9-10-6(7)11-5/h2H,1H3
InChIKeyJZQKIWPYBIISSA-UHFFFAOYSA-N
MW230.02 g/mol
LogP1.80
Rot. Bonds1

About 2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole

2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole (PubChem CID 114771182) has the molecular formula C6H4BrN3O2 and a molecular weight of 230.02 g/mol. Its IUPAC name is 2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
PubChem CID114771182
Molecular FormulaC6H4BrN3O2
Molecular Weight230.02 g/mol
Exact Mass228.95
IUPAC Name2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
SMILESCc1oncc1-c1nnc(Br)o1
InChIInChI=1S/C6H4BrN3O2/c1-3-4(2-8-12-3)5-9-10-6(7)11-5/h2H,1H3
InChIKeyJZQKIWPYBIISSA-UHFFFAOYSA-N
XLogP1.80
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.02
LogP ≤ 51.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62070255
2-(2-chloroethyl)-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole
CID 43513256
2-bromo-5-(2-bromo-5-chloro-4-methylphenyl)-1,3,4-oxadiazole
CID 130551272
2-bromo-5-(5-fluoro-2-methylphenyl)-1,3,4-oxadiazole
CID 114771109
2-bromo-5-(2-bromofuran-3-yl)-1,3,4-oxadiazole
CID 106856548
5-(5-methyl-1,2-oxazol-4-yl)-3H-1,3,4-oxadiazole-2-thione
CID 43148570
2-bromo-5-(2,4-dimethyl-1,3-oxazol-5-yl)-1,3,4-oxadiazole
CID 114771301
5-(5-methyl-1,2-oxazol-4-yl)-1,2,4-oxadiazol-3-amine
CID 63692248
2-bromo-5-(4-bromo-2-fluorophenyl)-1,3,4-oxadiazole
CID 114771183
2-bromo-5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazole
CID 114771099
2-(5-bromo-1,3,4-oxadiazol-2-yl)benzoic acid
CID 83681456
2-bromo-5-(5-chloro-2-methoxyphenyl)-1,3,4-oxadiazole
CID 114771081

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole (CID 114771182) is 2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole is Cc1oncc1-c1nnc(Br)o1.
What is the InChIKey of 2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole?
The InChIKey is JZQKIWPYBIISSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H4BrN3O2/c1-3-4(2-8-12-3)5-9-10-6(7)11-5/h2H,1H3.
What are the key properties of 2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole?
2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole has a molecular weight of 230.02 g/mol, XLogP of 1.80, 1 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(5-methyl-1,2-oxazol-4-yl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771182), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).