2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole

C7H11BrN2O — CID 114771093

IUPAC2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole
SMILESCC(C)CCc1nnc(Br)o1
InChIInChI=1S/C7H11BrN2O/c1-5(2)3-4-6-9-10-7(8)11-6/h5H,3-4H2,1-2H3
InChIKeyUQJVBIFQYWDGIY-UHFFFAOYSA-N
MW219.08 g/mol
LogP2.42
Rot. Bonds3

About 2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole

2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole (PubChem CID 114771093) has the molecular formula C7H11BrN2O and a molecular weight of 219.08 g/mol. Its IUPAC name is 2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole
PubChem CID114771093
Molecular FormulaC7H11BrN2O
Molecular Weight219.08 g/mol
Exact Mass218.01
IUPAC Name2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole
SMILESCC(C)CCc1nnc(Br)o1
InChIInChI=1S/C7H11BrN2O/c1-5(2)3-4-6-9-10-7(8)11-6/h5H,3-4H2,1-2H3
InChIKeyUQJVBIFQYWDGIY-UHFFFAOYSA-N
XLogP2.42
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.08
LogP ≤ 52.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-bromo-5-(2-methylsulfanylethyl)-1,3,4-oxadiazole
CID 114771387
N-methyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]ethanamine
CID 62164813
2-bromo-5-(3-ethoxypropyl)-1,3,4-oxadiazole
CID 114771401
2-bromo-5-[2-(2,2-difluoroethoxy)ethyl]-1,3,4-oxadiazole
CID 103213879
2-[(S)-chloro(phenyl)methyl]-5-(3-methylbutyl)-1,3,4-oxadiazole
CID 93298279
2-bromo-5-(ethoxymethyl)-1,3,4-oxadiazole
CID 114771328
2-bromo-5-(2,2-difluorobutyl)-1,3,4-oxadiazole
CID 164651903
3,6-dimethyl-2-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 103431050
N-[5-(3-methylbutyl)-1,3,4-oxadiazol-2-yl]-4-nitrobenzenesulfonamide
CID 122151026
1-[5-(3-methylbutyl)-1,2,4-oxadiazol-3-yl]propan-1-amine
CID 61325212
2-bromo-5-[(4-chlorophenyl)methyl]-1,3,4-oxadiazole
CID 82306710
4-(5-methyl-1,3,4-oxadiazol-2-yl)-2-[2-(5-methyl-1,3,4-oxadiazol-2-yl)ethyl]butanoic acid
CID 156686285

Frequently Asked Questions

What is the IUPAC name of 2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole?
The IUPAC name of 2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole (CID 114771093) is 2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole is CC(C)CCc1nnc(Br)o1.
What is the InChIKey of 2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole?
The InChIKey is UQJVBIFQYWDGIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11BrN2O/c1-5(2)3-4-6-9-10-7(8)11-6/h5H,3-4H2,1-2H3.
What are the key properties of 2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole?
2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole has a molecular weight of 219.08 g/mol, XLogP of 2.42, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-5-(3-methylbutyl)-1,3,4-oxadiazole is sourced from PubChem (CID 114771093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).