2-[5-(4-bromophenyl)furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

C17H10BrN3O2 — CID 29129872

IUPAC2-[5-(4-bromophenyl)furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESBrc1ccc(-c2ccc(-c3nnc(-c4ccncc4)o3)o2)cc1
InChIInChI=1S/C17H10BrN3O2/c18-13-3-1-11(2-4-13)14-5-6-15(22-14)17-21-20-16(23-17)12-7-9-19-10-8-12/h1-10H
InChIKeyPCHCLKJGHNWILQ-UHFFFAOYSA-N
MW368.19 g/mol
LogP4.82
Rot. Bonds3

About 2-[5-(4-bromophenyl)furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole

2-[5-(4-bromophenyl)furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (PubChem CID 29129872) has the molecular formula C17H10BrN3O2 and a molecular weight of 368.19 g/mol. Its IUPAC name is 2-[5-(4-bromophenyl)furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.

Molecular Properties

Compound Name2-[5-(4-bromophenyl)furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
PubChem CID29129872
Molecular FormulaC17H10BrN3O2
Molecular Weight368.19 g/mol
Exact Mass367.00
IUPAC Name2-[5-(4-bromophenyl)furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole
SMILESBrc1ccc(-c2ccc(-c3nnc(-c4ccncc4)o3)o2)cc1
InChIInChI=1S/C17H10BrN3O2/c18-13-3-1-11(2-4-13)14-5-6-15(22-14)17-21-20-16(23-17)12-7-9-19-10-8-12/h1-10H
InChIKeyPCHCLKJGHNWILQ-UHFFFAOYSA-N
XLogP4.82
TPSA64.95 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.19
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-bromophenyl)furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The IUPAC name of 2-[5-(4-bromophenyl)furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole (CID 29129872) is 2-[5-(4-bromophenyl)furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole.
What is the SMILES notation for 2-[5-(4-bromophenyl)furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The canonical SMILES for 2-[5-(4-bromophenyl)furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is Brc1ccc(-c2ccc(-c3nnc(-c4ccncc4)o3)o2)cc1.
What is the InChIKey of 2-[5-(4-bromophenyl)furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
The InChIKey is PCHCLKJGHNWILQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10BrN3O2/c18-13-3-1-11(2-4-13)14-5-6-15(22-14)17-21-20-16(23-17)12-7-9-19-10-8-12/h1-10H.
What are the key properties of 2-[5-(4-bromophenyl)furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole?
2-[5-(4-bromophenyl)furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole has a molecular weight of 368.19 g/mol, XLogP of 4.82, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-bromophenyl)furan-2-yl]-5-pyridin-4-yl-1,3,4-oxadiazole is sourced from PubChem (CID 29129872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).