2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole

C10H5BrN4O2 — CID 142792757

IUPAC2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
SMILESBrc1cc(-c2nnco2)ccc1-c1nnco1
InChIInChI=1S/C10H5BrN4O2/c11-8-3-6(9-14-12-4-16-9)1-2-7(8)10-15-13-5-17-10/h1-5H
InChIKeyKCJCRDYDKRDCBI-UHFFFAOYSA-N
MW293.08 g/mol
LogP2.55
Rot. Bonds2

About 2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole

2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole (PubChem CID 142792757) has the molecular formula C10H5BrN4O2 and a molecular weight of 293.08 g/mol. Its IUPAC name is 2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
PubChem CID142792757
Molecular FormulaC10H5BrN4O2
Molecular Weight293.08 g/mol
Exact Mass291.96
IUPAC Name2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole
SMILESBrc1cc(-c2nnco2)ccc1-c1nnco1
InChIInChI=1S/C10H5BrN4O2/c11-8-3-6(9-14-12-4-16-9)1-2-7(8)10-15-13-5-17-10/h1-5H
InChIKeyKCJCRDYDKRDCBI-UHFFFAOYSA-N
XLogP2.55
TPSA77.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.08
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole?
The IUPAC name of 2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole (CID 142792757) is 2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole.
What is the SMILES notation for 2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole?
The canonical SMILES for 2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole is Brc1cc(-c2nnco2)ccc1-c1nnco1.
What is the InChIKey of 2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole?
The InChIKey is KCJCRDYDKRDCBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H5BrN4O2/c11-8-3-6(9-14-12-4-16-9)1-2-7(8)10-15-13-5-17-10/h1-5H.
What are the key properties of 2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole?
2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole has a molecular weight of 293.08 g/mol, XLogP of 2.55, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-bromo-4-(1,3,4-oxadiazol-2-yl)phenyl]-1,3,4-oxadiazole is sourced from PubChem (CID 142792757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).