5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine

C8H5Br2N3O — CID 107971953

IUPAC5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cc(Br)cc(Br)c2)o1
InChIInChI=1S/C8H5Br2N3O/c9-5-1-4(2-6(10)3-5)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKeyWBAHMYYYEMJODR-UHFFFAOYSA-N
MW318.96 g/mol
LogP2.84
Rot. Bonds1

About 5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine

5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 107971953) has the molecular formula C8H5Br2N3O and a molecular weight of 318.96 g/mol. Its IUPAC name is 5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID107971953
Molecular FormulaC8H5Br2N3O
Molecular Weight318.96 g/mol
Exact Mass316.88
IUPAC Name5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2cc(Br)cc(Br)c2)o1
InChIInChI=1S/C8H5Br2N3O/c9-5-1-4(2-6(10)3-5)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKeyWBAHMYYYEMJODR-UHFFFAOYSA-N
XLogP2.84
TPSA64.94 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.96
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3,5-dibromophenyl)-5-methyl-1,3,4-oxadiazole
CID 104523710
5-(5-amino-1,3,4-oxadiazol-2-yl)-1,3,4-oxadiazol-2-amine
CID 4036354
2-(3,5-dibromophenyl)-5-propan-2-yl-1,3,4-oxadiazole
CID 104530677
5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-amine
CID 107938667
2-bromo-5-(3-bromo-5-chlorophenyl)-1,3,4-oxadiazole
CID 107944228
5-(5-chloro-3-pyridinyl)-1,3,4-oxadiazol-2-amine
CID 130646137
5-[3-bromo-4-[(4-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine
CID 91686193
2-(3,5-dibromophenyl)-5-[3-methyl-5-(trifluoromethyl)phenyl]-1,3,4-oxadiazole
CID 58961736
5-quinoxalin-6-yl-1,3,4-oxadiazol-2-amine
CID 62850606
3-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 107980690
1-[5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-yl]-N-propylpropan-1-amine
CID 107981062
5-[3-bromo-4-[(3-bromophenyl)methoxy]-5-chlorophenyl]-1,3,4-oxadiazol-2-amine
CID 91686192

Frequently Asked Questions

What is the IUPAC name of 5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine (CID 107971953) is 5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2cc(Br)cc(Br)c2)o1.
What is the InChIKey of 5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is WBAHMYYYEMJODR-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2N3O/c9-5-1-4(2-6(10)3-5)7-12-13-8(11)14-7/h1-3H,(H2,11,13).
What are the key properties of 5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine?
5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine has a molecular weight of 318.96 g/mol, XLogP of 2.84, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 107971953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).