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

C8H5Br2N3O — CID 107938667

IUPAC5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C8H5Br2N3O/c9-4-1-2-5(6(10)3-4)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKeyBKPFVRSIONPAPD-UHFFFAOYSA-N
MW318.96 g/mol
LogP2.84
Rot. Bonds1

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

5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-amine (PubChem CID 107938667) has the molecular formula C8H5Br2N3O and a molecular weight of 318.96 g/mol. Its IUPAC name is 5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-amine.

Molecular Properties

Compound Name5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-amine
PubChem CID107938667
Molecular FormulaC8H5Br2N3O
Molecular Weight318.96 g/mol
Exact Mass316.88
IUPAC Name5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-amine
SMILESNc1nnc(-c2ccc(Br)cc2Br)o1
InChIInChI=1S/C8H5Br2N3O/c9-4-1-2-5(6(10)3-4)7-12-13-8(11)14-7/h1-3H,(H2,11,13)
InChIKeyBKPFVRSIONPAPD-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-(2,4-dibromophenyl)-5-iodo-1,3,4-oxadiazole
CID 107944229
7-bromo-11-oxa-3,4-diazatricyclo[4.2.2.12,5]undeca-1(8),2,4,6,9-pentaene
CID 70522554
5-(3,5-dibromophenyl)-1,3,4-oxadiazol-2-amine
CID 107971953
3-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]propanoic acid
CID 107940450
4-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]butanoic acid
CID 114018570
[5-(2,4-dibromophenyl)-1,2,4-oxadiazol-3-yl]methanamine
CID 107940651
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-(2-amino-4-bromophenyl)-5-bromoaniline
CID 11221538
4-[5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-yl]-3,3-dimethylbutanoic acid
CID 107940461
[5-(4-bromo-2-chlorophenyl)-1,3,4-oxadiazol-2-yl]methanamine
CID 62070230
5-(3-bromo-2-pyridinyl)-1,3,4-oxadiazol-2-amine
CID 107517342

Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-amine?
The IUPAC name of 5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-amine (CID 107938667) is 5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-amine.
What is the SMILES notation for 5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-amine?
The canonical SMILES for 5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-amine is Nc1nnc(-c2ccc(Br)cc2Br)o1.
What is the InChIKey of 5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-amine?
The InChIKey is BKPFVRSIONPAPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H5Br2N3O/c9-4-1-2-5(6(10)3-4)7-12-13-8(11)14-7/h1-3H,(H2,11,13).
What are the key properties of 5-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-amine?
5-(2,4-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-(2,4-dibromophenyl)-1,3,4-oxadiazol-2-amine is sourced from PubChem (CID 107938667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).