2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazole

C15H9Br2N3O — CID 102332924

IUPAC2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazole
SMILESBrc1ccc(/C=C/c2nnc(-c3cncc(Br)c3)o2)cc1
InChIInChI=1S/C15H9Br2N3O/c16-12-4-1-10(2-5-12)3-6-14-19-20-15(21-14)11-7-13(17)9-18-8-11/h1-9H/b6-3+
InChIKeyNKLBQXOQAXESOA-ZZXKWVIFSA-N
MW407.07 g/mol
LogP4.83
Rot. Bonds3

About 2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazole

2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazole (PubChem CID 102332924) has the molecular formula C15H9Br2N3O and a molecular weight of 407.07 g/mol. Its IUPAC name is 2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazole
PubChem CID102332924
Molecular FormulaC15H9Br2N3O
Molecular Weight407.07 g/mol
Exact Mass404.91
IUPAC Name2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazole
SMILESBrc1ccc(/C=C/c2nnc(-c3cncc(Br)c3)o2)cc1
InChIInChI=1S/C15H9Br2N3O/c16-12-4-1-10(2-5-12)3-6-14-19-20-15(21-14)11-7-13(17)9-18-8-11/h1-9H/b6-3+
InChIKeyNKLBQXOQAXESOA-ZZXKWVIFSA-N
XLogP4.83
TPSA51.81 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.07
LogP ≤ 54.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-bromo-3-pyridinyl)-5-iodo-1,3,4-oxadiazole
CID 114771628
2-(5-bromo-3-pyridinyl)-5-propyl-1,3,4-oxadiazole
CID 46739504
2-(4-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3170416
2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]benzoic acid
CID 81437606
1-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62163737
2-(3-methylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 3703705
2-[5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazol-2-yl]-N-methylethanamine
CID 62162541
2,5-bis[4-[(E)-2-(3,4-dichlorophenyl)ethenyl]phenyl]-1,3,4-oxadiazole
CID 102039656
(E)-3-[5-(5-methyl-3-pyridinyl)-1,3,4-oxadiazol-2-yl]prop-2-enoic acid
CID 81257467
2-(4-tert-butylphenyl)-5-(2-phenylethenyl)-1,3,4-oxadiazole
CID 74660783
2-[(E)-2-(4-methoxyphenyl)ethenyl]-5-(1-methylpyridin-1-ium-4-yl)-1,3,4-oxadiazole
CID 101351674
2-[(E)-2-(5-bromothiophen-2-yl)ethenyl]-5-(3,5-dichlorophenyl)-1,3,4-oxadiazole
CID 127041023

Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazole?
The IUPAC name of 2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazole (CID 102332924) is 2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazole.
What is the SMILES notation for 2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazole?
The canonical SMILES for 2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazole is Brc1ccc(/C=C/c2nnc(-c3cncc(Br)c3)o2)cc1.
What is the InChIKey of 2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazole?
The InChIKey is NKLBQXOQAXESOA-ZZXKWVIFSA-N. The full InChI is InChI=1S/C15H9Br2N3O/c16-12-4-1-10(2-5-12)3-6-14-19-20-15(21-14)11-7-13(17)9-18-8-11/h1-9H/b6-3+.
What are the key properties of 2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazole?
2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazole has a molecular weight of 407.07 g/mol, XLogP of 4.83, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2-(4-bromophenyl)ethenyl]-5-(5-bromo-3-pyridinyl)-1,3,4-oxadiazole is sourced from PubChem (CID 102332924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).