2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole

C11H10Br2N2O — CID 104530677

IUPAC2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cc(Br)cc(Br)c2)o1
InChIInChI=1S/C11H10Br2N2O/c1-6(2)10-14-15-11(16-10)7-3-8(12)5-9(13)4-7/h3-6H,1-2H3
InChIKeyAGHDVVVZBBBJHH-UHFFFAOYSA-N
MW346.02 g/mol
LogP4.39
Rot. Bonds2

About 2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole

2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole (PubChem CID 104530677) has the molecular formula C11H10Br2N2O and a molecular weight of 346.02 g/mol. Its IUPAC name is 2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
PubChem CID104530677
Molecular FormulaC11H10Br2N2O
Molecular Weight346.02 g/mol
Exact Mass343.92
IUPAC Name2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
SMILESCC(C)c1nnc(-c2cc(Br)cc(Br)c2)o1
InChIInChI=1S/C11H10Br2N2O/c1-6(2)10-14-15-11(16-10)7-3-8(12)5-9(13)4-7/h3-6H,1-2H3
InChIKeyAGHDVVVZBBBJHH-UHFFFAOYSA-N
XLogP4.39
TPSA38.92 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.02
LogP ≤ 54.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-bromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 54593869
2-(2-bromo-4-pyridinyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 146446478
2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole
CID 104523710
1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107981062
5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine
CID 107971953
5-bromo-3-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)pyridin-2-amine
CID 90273289
1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163737
4-(5-propan-2-yl-1,3,4-oxadiazol-2-yl)benzonitrile
CID 90026926
2-(2-bromo-4-chlorophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 104530681
2-(4-nitrophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 11264781
2-(3,5-dibromophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 58961736
2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole
CID 107944228

Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole?
The IUPAC name of 2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole (CID 104530677) is 2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole is CC(C)c1nnc(-c2cc(Br)cc(Br)c2)o1.
What is the InChIKey of 2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole?
The InChIKey is AGHDVVVZBBBJHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10Br2N2O/c1-6(2)10-14-15-11(16-10)7-3-8(12)5-9(13)4-7/h3-6H,1-2H3.
What are the key properties of 2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole?
2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole has a molecular weight of 346.02 g/mol, XLogP of 4.39, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole is sourced from PubChem (CID 104530677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).